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ArrowEMR Group Member Publications

Below is a list of publications associated with current group members and former staff. To see all the publications in our database associated with the facility regardless of author, please see our EMR Facility Publications list.


2008 Publications and Scientific Activities

## Peer-Reviewed Publications
1 Arcon, D.; Pregelj, M.; Zorko, A.; Ganin, A.Y.; Rosseinsky, M.J.; Takabayashi, Y.; Prassides, K.; van Tol, H. and Brunel, L.C., Antiferromagnetic resonance in methylaminated potassium fulleride (CH3NH2)K3C60, Phys. Rev. B, 77, 035104 (2008)
2 Baek, S.-H.; Choi, K.-Y.; Reyes, A.P.; Kuhns, P.L.; Curro, N.J.; Ramanchandran, V.; Dalal, N.S.; Zhou, H.D. and Wiebe, C.R., AC susceptibility and 51V NMR study of MnV2O4, J. Phys. -Condens. Mat., 20, 135218 (2008)
3 Bi, L.-H.; Mal, S.S.; Nsouli, N.H.; Dickman, M.H.; Kortz, U.; Nellutla, S.; Dalal, N.S.; Prinz, M.; Hofmann, G. and Neumann, M., Mixed-Valence 24-Vanadophosphate Decorated with Six RuII(dmso)3 Groups: [{RuII3(dmso)9PVV11 VIVRuIIIO37(OH)3}2]8-, J. Cluster Science, 19, 259 (2008)
4 Blinc, R.; Tavcar, G.; Zemva, B.; Hanzel, D.; Cevc, P.; Filipic, C.; Levstik, A.; Jaglicic, Z.; Trontelj, Z.; Dalal, N.; Ramachandran, V.; Nellutla, S. and Scott, J.F., Weak ferromagnetism and ferroelectricity in K3Fe5F15, J. Appl. Phys., 103, 074114 (2008)
5 Cizmar, E.; Ozerov, M; Ignatchik, P.; Papageorgiou, T.P.; Wosnitza, J.; Zvyagin, S.A.; Krzystek, J.; Zhou, Z.; Landee, C.P.; Landry, B.R.; Turnbull, M.M. and Wikaira, J.L., Magnetic properties of the Haldane-gap material [Ni(C2H8N2)2NO2](BF4), New Journal of Physics, 10, 033008 (2008) [read online]
6 Drabent, K.; Ciunik, Z. and Ozarowski, A., X-ray Crystal Structures, Electron Paramagnetic Resonance, and Magnetic Studies on Strongly Antiferromagnetically Coupled Mixed μ-Hydroxide-μ-N1,N2-Triazole-Bridged One Dimensional Linear Chain Copper(II) Complexes, Inorg. Chem., 47, (8), 3358-3365 (2008)
7 Erdem, E.; Drahus, M.; Eichel, R-A.; Ozarowski, A.; van Tol, J. and Brunel, L.C., Microstructural Characterization of the Manganese Functional Center Site in PbTiO3 Multi-Frequency Electron Paramagnetic Resonance and Newman Superposition Model Analysis, Ferroelectrics, 363, 39-49 (2008)
8 Karadas, F.; Schelter, E.J.; Shatruk, M.; Prosvirin, A.V.; Bacsa, J.; Smirnov, D.; Ozarowski, A.; Krzystek, J.; Telser, J. and Dunbar, K.R., A family of cyanide-bridged molecular squares: structural and magnetic properties of [{MIICl2}2{CoII(triphos)(CN)2}2]•xCH2Cl2, M = Mn, Fe, Co, Ni, Zn, Inorg. Chem., 47, 2074-2082 (2008) [read online]
9 Krzystek, J.; England, J.; Ray, K.; Ozarowski, A.; Smirnov, D.; Que, Jr., L. and Telser, J., Determination by high-frequency and -field EPR of zero-field splitting in iron(IV) oxo complexes: implications for intermediates in nonheme iron enzymes, Inorg. Chem., 47, 3483-3485 (2008) [read online]
10 Makhankova, V.G.; Beznischenko, A.O.; Kokozay, V.N.; Zubatyuk, R.I.; Shishkin, O.V.; Jezierska, J. and Ozarowski, A., Direct Synthesis, Crystal Structures, High-Field EPR and Magnetic Studies of Heterometallic Polymers Containing Mn(II) Carboxylates Interconnected by [Cu(en)2]2+, Inorg. Chem., 47, (11), 4554-4563 (2008) [read online]
11 Mal, S.S.; Dickman, M.H.; Kortz, U.; Todea, A.M.; Merca, A.; Bogge, H.; Glaser, T.; Muller, A.; Nellutla, S.; Kaur, N.; van Tol, J.; Dalal, N.S.; Keita, B. and Nadjo, L., Nucleation Process in the Cavity of a 48-Tungstophosphate Wheel Resulting in a 16-Metal-Centre Iron Oxide Nanocluster., Chemistry-A European Journal, 14, (4), 1186 (2008)
12 Morley, G.W.; Brunel, L.C.; van Tol, J., A multifrequency high-field pulsed electron paramagnetic resonance/electron-nuclear double resonance spectrometer, Rev. Sci. Instrum., 79, (6), 064703 (2008)
13 Nesterova, O.V.; Petrusenko, S.R.; Kokozay, V.N.; Skelton, B.W.; Jezierska, J.; Linert, W. and Ozarowski, A., Structural, magnetic, high-frequency and high-field EPR investigation of double-stranded heterometallic [{Ni(en)(2)}(2)(mu-NCS)(4)Cd(NCS)(2)](n)center dot nCH(3)CN polymer self-assembled from cadmium oxide, nickel thiocyanate and ethylenediamine, Dalton Transactions, 2008, (11), 1431-1436 (2008)
14 Pregelj, M.; Arcon, D.; Zorko, A.; Zaharko, O.; Brunel, L.-C.; van Tol, H.; Ozarowski, A.; Nellutla,S. and Berger, H., Temperature dependence of antiferromagnetic resonance mode in two-dimensional system Ni5(TeO3)4Br2, Physica B, 403, 950 (2008)
15 Szyczewski, A.; Lis, S.; Krzystek, J.; Staninski, K.; Klonkowski, A.; Kruczynski, Z. and Pietraszkiewicz, K., Gadolinium(III) cryptates investigated by multifrequency EPR, J. Alloy Compd., 451, 182-185 (2008) [read online]
16 Tokumoto, T.; Brooks, J.S.; Oshima, Y.; Choi, E.S.; Brunel, L.-C.; Akutsu, H.; Kaihatsu, T.; Yamada, J. and van Tol, J., Antiferromagnetic d-Electron Exchange via a Spin-Singlet pi-Electron Ground State in an Organic Conductor, Phys. Rev. Lett., 100, (14), 147602 (2008) [read online]
17 Zorko, A.; El Shawish, S.; Arcon, D.; Jaglicic, Z.; Lappas, A.; van Tol, J. and Brunel, J.C., Magnetic interactions in alpha-NaMnO2: Quantum spin-2 system on a spatially anisotropic two-dimensional triangular lattice, Phys. Rev. B, 77, 024412 (2008)
18 Zvyagin, S.A.; Batista, C.D.; Krzystek, J.; Zapf, V.S.; Jaime, M.; Paduan-Filho, A. and Wosnitza, J., Observation of two-magnon bound states in the spin-1 anisotropic Heisenberg antiferromagnetic chain system NiCl2-4SC(NH2)2, Physica B, 403, 1497-1499 (2008) [read online]

2007 Publications and Scientific Activities

## Peer-Reviewed Publications
1 Angerhofer, A.; Moomaw, E.W.; Garcia-Rubio, I.; Ozarowski, A.; Krzystek, J.; Weber, R.T. and Richards, N.G.J., Multifrequency EPR Studies on the Mn(II) Centers of Oxalate Decarboxylase, J. Phys. Chem. B, 111, 5043-5046 (2007) [read online]
2 Arcon, D.; Zorko, A.; Pregelj, M.; Dolinsek, J.; Berger, H.; Ozarowski, A.; van Tol, H. and Brunel, L.C., High-field ESR in a two-dimensional S=1 spin system Ni5(TeO3)4Br2, J. Magn. Magn. Mater., 316, (2), e349 (2007) [read online]
3 Aromi, G.; Gamez, P.; Krzystek, J.; Kooijman, H.; Spek, A.L.; MacLean, E.J.; Teat, S.J. and Nowell, H., Novel linear transition metal clusters of a heptadentate bis-beta-diketone ligand, Inorg. Chem., 46, 2519-2529 (2007) [read online]
4 Berry, J.F.; Bill, E.; Bothe, E.; Cotton, F.A.; Dalal, N.S.; Ibragimov, S.A.; Kaur, N.; Liu, C.Y.; Murillo, C.A.; Nellutla, S.; North, J.M. and Villagran, D., A Fractional Bond Order of 1/2 in (Pd2)5+-Formamidinate Species: The Value of Very High Field EPR Spectra, J. Am. Chem. Soc., 129, 1393 (2007)
5 Blinc, R.; Cevc, P.; Zorko, A.; Holc, J.; Kosec, M.; Trontelj, Z.; Pirnat, J.; Dalal, N.; Ramachandran, V. and Krzystek, J., Electron Paramagnetic Resonance of Magnetoelectric Pb(Fe1/2Nb1/2)O3, J. Appl. Phys., 101, 033901 (2007) [read online]
6 Borel, A.; Laus, S.; Ozarowski, A.; Gateau, C.; Nonat, A.; Mazzanti, M. and Helm, L., Multiple-frequency EPR spectra of two aqueous Gd3+ polyamino polypyridine carboxylate complexes: A study of high field effects, J. Phys. Chem. A, 111, (25), 5399-5407 (2007) [read online]
7 Cissell, J.A.; Kaur, N.; Nellutla, S.; Dalal, N.S. and Vaid, T.P., Synthesis, Structure and Magnetic Properties of [(CH3CN)5V-O-V(CH3CN)5[BF4]4, Inorg. Chem., 46, 9672 (2007)
8 Erdem, E.; Eichel, R.A.; Kungl, H.; Hoffmann, M.J.; Ozarowski, A.; van Tol, H. and Brunel, L.C., Local symmetry-reduction in tetragonal (La,Fe)-codoped Pb[Zr0.4Ti0.6]O3 piezoelectric ceramics, Physica Scripta, T129, 12-16 (2007) [read online]
9 Fajer, M.I.; Li, H.; Yang, W. and Fajer, P.G., Mapping Electron Paramagnetic Resonance Spin Label Conformations by the Simulated Scaling Method, J. Am. Chem. Soc., 129, 13840-13846 (2007)
10 Fu, R.; Sen, O.G. and Dalal, N.S., Simultaneous Supralinear Line-Narrowing and Sensitivity Enhancement at High Fields in Magic Angle Spinning NMR of Spin-1/2 Nuclei in Solids, J. Am. Chem. Soc., 129, 470-471 (2007) [read online]
11 Galiano, L.; Bonora, M. and Fanucci, G., Interflap distances in HIV -1 protease determined by pulsed EPR measurements, J. Am. Chem. Soc., 129, (36), 11004-5 (2007)
12 Hambly, B.D.; Oakley, C.E. and Fajer, P.G., Protein comparative sequence analysis and computer modeling, Clinical Bioinformatics (Methods of Molecular Biology Series), 0, Ch 13 (2007)
13 Herchel, R.; Boča, R.; Krzystek, J.; Ozarowski, A.; Duran, M. and van Slageren, J., Definitive determination of zero-field splitting and exchange interactions in a Ni(II) dimer: investigation of [Ni2(en)4Cl2]Cl2 using magnetization and tunable-frequency high-field EPR, J. Am. Chem. Soc., 129, (34), 10306-10307 (2007) [read online]
14 Jezierska, J.; Kokozay, V. and Ozarowski, A., EPR studies of spin-spin interactions between Cu(II) centers in dimeric, hexameric and homo- and heteronuclear tetrameric complexes, Research on Chemical Intermediates, 33, (8-9), 901-914 (2007)
15 Lurie, Y.; Pinhasi, Y. and Tecimer, M., Approaches in modeling a waveguide rf-linac THz-FEL, Proc. 29th Int. Free Electron Laser Conf., -, - (2007)
16 Morley, G.W.; van Tol, J.; Ardavan, A.; Porfyrakis, K.; Zhang, J. and Briggs, G.A.D., Efficient Dynamic Nuclear Polarization at High Magnetic Fields, Phys. Rev. Lett., 98, 220501 (2007)
17 Nellutla, S.; Choi, K.-Y.; Pati, M.; van Tol, J.; Chiorescu, I. and Dalal, N.S., Coherent Manipulation of Electron Spins up to Ambient Temperatures in Cr5+ (S=1/2) doped K3NbO8, Phys. Rev. Lett., 99, 137601 (2007) [read online]
18 Nesmelov, Y.E.; Karim, C.; Song, L.; Fajer, P.G. and Thomas, D.D., Rotational Dynamics of Phospholamban Determined by Multifrequency Electron Paramagnetic Resonance, Biophysical J., 93, 2805-12 (2007)
19 Nesterov, D.S.; Kokozay, V.N.; Skelton, B.W.; Jezierska, J. and Ozarowski, A., Self-Assembly of the Unique Heterotrimetallic Cu/Co/M Complexes Possessing Triangular Antiferromagnetic Cu2CoPb2 and Linear Ferromagnetic Cu2CoCd2 Cores, Dalton Transactions, 2007, 558-564 (2007) [read online]
20 Oakley, C.E.; Chamoun, J.; Brown, L.J. and Hambly, B.D., Myosin Binding Protein - C: enigmatic regulator of cardiac contraction, Int. J. Biochemistry & Cell Biology, 39, 2161-2166 (2007)
21 Pregelj, M.; Zorko, A.; Arcon, D.; Margadonna, S.; Prassides, K.; van Tol, H.; Brunel, L.C. and Ozarowski A., ESR study of the Prussian blue analogue Rb0.8Mn1.1[Fe(CN)6]·D2O, J. Magn. Magn. Mater., 316, (2), E680-E683 (2007) [read online]
22 Pregelj, M.; Zorko, A.; Berger, H.; van Tol, H.; Brunel, L.C.; Ozarowski, A.; Nellutla, S.; Jagličič, Z.; Zaharko, O.; Tregenna-Piggott, P. and Arčon, D., Magnetic structure of the S=1 Ni5(TeO3)4Br2 layered system governed by magnetic anisotropy, Phys. Rev. B, 76, 144408 (2007) [read online]
23 Sen, K.I.; Logan, T.M. and Fajer, P.F., Protein dynamics and monomer-monomer interactions in AntR activation by electron paramagnetic resonance and double electron-electron resonance, Biochemistry, 46, (41), 11639-11649 (2007) [read online]
24 Smirnova, T.I.; Chadwick, T.G.; Voinov, M.A.; Poluektov, O.; van Tol, J.; Ozarowski, A.; Schaaf, G.; Ryan, M.M. and Bankaitis, V.A., Local polarity and hydrogen bonding inside the Sec14p phospholipid-binding cavity: High-field multi-frequency electron paramagnetic resonance studies, Biophysical J., 92, (10), 3686-3695 (2007)
25 Youngme, S.; Phatchimkun, J.; Suksangpanya, U.; Pakawatchai, C.; Chaichit, N.; Kongsaeree, P.; Krzystek, J. and Murphy, B., Crystal structures, spectro-structural correlation and structural pathways of eight [Cu(dpyam)2(NCO)][Y] complexes (dpyam = di-2-pyridylamine), Y = Br-, CF3SO3-, BF4- • dpyam, Cl- • 4 H2O, NO3-, PF6-, ClO4- and BPh4-, Polyhedron, 26, 871-882 (2007) [read online]
26 Zorko, A.; Arčon, D.; Dolinšek, J.; Jagličić, Z.; Jeromen, A.; van Tol, H.; Brunel, L.C. and Berger, H., Magnetism in the novel spin system Ni5(TeO3)4Br2 with two-dimensional frustrated geometry, J. Phys. -Condens. Mat., 19, (14), 145278 (2007) [read online]
27 Zvyagin, S.A.; Wosnitza, J.; Batista, C.D.; Tsukamoto, M.; Kawashima, N.; Krzystek, J.; Zapf, V.S.; Jaime, M.; Oliveira, N.F. and Paduan-Filho, A., Magnetic excitations in the spin-1 anisotropic Heisenberg antiferromagnetic chain system NiCl2-4SC(NH2)2, Phys. Rev. Lett., 98, 047205 (2007) [read online]
28 Zvyagin, S.A.; Wosnitza, J.; Kolezhuk, A.K.; Krzystek, J. and Feyerherm, R., Electron spin resonance in S = 1/2 Heisenberg chains with alternating g-tensor and the Dzyaloshinskii–Moriya interaction, J. Magn. Magn. Mater., 310, 1209-1211 (2007) [read online]
29 Zvyagin, S.A.; Wosnitza, J.; Krzystek, J.; Stern, R.; Jaime, M.; Sasago, Y. and Uchinokura, K., Spin-triplet excitons and anisotropy effects in the S = 1/2 gapped antiferromagnet BaCuSi2O6, J. Magn. Magn. Mater., 310, 1206-1208 (2007) [read online]
## Presentations, Posters & Abstracts
1 Baek, S-H.; Choi, K-Y; Reyes, A. P.; Kuhns, P; Dalal, N.; Zhou, H. and Wiebe, C., Coexistence of a long-range and short-range ordered state in MnV2O4, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
2 Choi, K.-Y.; Reyes, A.P.; Kuhns, P.L.; Dalal, N.S.; Matsuda, Y.H.; Nojiri, H.; Hussain, F. and Kortz, U., Exotic quantum magnetization process observed in the Cu3 triangular spin ring, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
3 Fu, R.; Sen, O.G. and Dalal, N.S., Unexpectedly Large Resolution and Sensitivity Enhancement at 900 MHz (21.1 T) in MAS NMR of Spin-1/2 in Solids, Oral presentation, 2nd Asia-Pacific NMR Meeting, Taiwan, October 12-14 (2007)
4 Gunaydin-Sen, O.; Kuhns, P.; Reyes, A.P. and Dalal, N.S., 75NMR Study of the Antiferroelectric Transition in NH4H2AsO4, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
5 Kaur, N.; Nellutla, S.; Jo, Y.-J.; Balicas, L.; van Tol, J. and Dalal, N.S., Torque Magnetometry and Thermomagnetic Capacity Studies on a 2-d Cr(IV) Antiferromagnet, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
6 Krzystek, J. and Ozarowski, A., High-Field and –Frequency EPR Study of FeSiF66H2O as Pure Solid and Doped into ZnSiF66H2O, 49th Rocky Mountains Conf. on Analytical Chemistry, Breckenridge, CO, July 22-26 (2007), Conference Proceedings, 56 (2007)
7 Landee, C.P.; Xiao, F.; Turnbull, M.M.; Tsyrulin, N.T.; Kenzelmann, M. and van Tol, H., Field dependent ordering temperature in copper pyrazine perchlorate Cu(Pz)2(ClO4)2, American Physical Society March Meeting, Denver, CO, March 5-9 (2007), Bulletin of the American Physical Society, 52, (1) (2007) [read online]
8 Nellutla, S., Cr(V) Doped K3NbO8: A Potential Electron-spin Qubit, 83rd Florida Annual Meeting and Exposition, Orlando, FL, May 10-12 (2007)
9 Nellutla, S., Thermomagnetic Studies of a Low-Dimensional Antiferromagnet, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
10 Nellutla, S., EPR Characterization of High Spin Clusters and Correlated Systems, Breckenridge Meeting, Breckenridge, CO, July 22 (2007)
11 Nellutla, S.; Pati, M.; Choi, K.; Jo, Y.J.; Dalal, N.; Balicas, L.; van Tol, J.; Pajerowski, D.; Hee Moon, B.; Lee, Y.; Meisel, M. and Takano, Y., Thermomagnetic Studies of K2NaCrO8, American Physical Society March Meeting, Denver, CO, March 5-9 (2007)
12 Nellutla, S.; van Tol, J.; Choi, K.-Y.; Pati, M.; Dalal, N.S. and Chiorescu, I., Cr(V) Doped Niobate: A Transition Metal Oxide Based Model System for Electron-Spin Qubit, 49th Annual Rocky Mountain Conf. on Analytical Chemistry, Breckenridge, CO, July 22-26 (2007)
13 Ozarowski, A., Application of High-Field, High-Frequency EPR to Studies on Polynuclear Transition Metal Complexes, XXI Int. Conf. on Coordination and Bioinorganic Chemistry, Bratislava, Slovakia, June 3-8 (2007), Conference Proceedings, 74 (2007)
14 Ozarowski, A.; Makhankova, V.G.; Beznischenko, A.A.; Kokozay, V.N. and Jezierska, J., High-Field EPR of a Heterometallic Cu/Mn Carboxylate Complex Obtained by Direct Synthesis, 49th Rocky Mountains Conf. on Analytical Chemistry, Breckenridge, CO, July 22-26 (2007), Conference Proceedings, 63 (2007)
15 Sen, O.G.; Fu, R. and Dalal, N.S., Unexpected Line-Narrowing and Sensitivity Enhancement at High Fields in Magic Angle Spinning NMR of spin-1/2 Nuclei in Solids, 48th ENC Conf., Daytona Beach, FL, April 22-27 (2007)
16 Szymanska, I.B. and Ozarowski, A., High-Field, High-Frequency EPR Studies on Dimeric Copper(II) Perfluorocarboxylates and Silylcarboxylates, 36th Southeastern Magnetic Resonance Conf., Tuscaloosa, AL, November 9-11 (2007), Conference Proceedings, 73 (2007)
17 Tecimer, M., FIR FEL Conceptual Design, NHMFL FEL Design Proposal Review, Jefferson Lab., Newport News, VA, July 13 (2007)
18 Telser, J.; Krzystek, J.; Ozarowski, A.; Chu W.-C.; Wang, Z.-C.; Tsai, Y.-F. and Hsu, H.-F., Vanadium(III) Thiolate Complexes as Nitrogenase Models: Spectroscopic Investigation by High-Frequency and -Field EPR (HFEPR), 90th Canadian Chemistry Conf., Winnipeg, MB, Canada, May 26-30 (2007) [read online]
19 Telser, J.; Krzystek, J.; Ozarowski, A.; Chu, W.-C.; Wang, Z.-C.; Tsai, Y.-F. and Hsu, H.-F., Vanadium(III) thiolate complexes as nitrogenase models: Spectroscopic investigation by high-frequency and -field EPR (HFEPR) and optical and magnetic techniques, 13th Int. Conf. on Bioinorganic Chemistry (ICBIC-13), Vienna, Austria, July 15-20 (2007), J. Inorganic Biochemistry, 12 (Suppl 1), 130 (2007) [read online]
20 Tokumoto, T.; Brooks, J.S.; Oshima, Y.; Brunel, L.C.; Choi, E.S.; Kaihatsu, T.; Yamada, J. and van Tol, J, Antiferromagnetic d-electron exchange via a spin-singlet pi-electron ground state in an organic conductor, 36th Southeast Magnetic Research Conf., Tuscaloosa, AL, November 9-11 (2007)
21 Tokumoto, T.; Brooks, J.S.; Oshima, Y.; Brunel, L.C.; Choi, E.S.; Kaihatsu, T.; Yamada, J. and van Tol, J., Coexistence of a spin singlet state and an exchange interaction, Int. Symposium on Crystalline Organic Metals, Superconductors and Ferromagnets, Spain, September 24-29 (2007)
22 Tokumoto, T.; van Tol, J.; Brunel, L.-C.; Choi, E.S.; Brooks, J.S.; Kaihatsu, T.; Akutsu, H. and Yamada, J., High field ESR study of the pi-d interaction effect in beta-(BDA-TTP)2MCl4 (M=Fe, Ga), American Physical Society March Meeting, Denver, CO, March 6 (2007)
23 van Tol, J.; Nellutla, S. and Landee, C. P., High frequency ESR study of the two-dimensional Heisenberg antiferromagnet copper pyrazine perchlorate, American Physical Society March Meeting, March 5-9 (2007), Bulletin of the American Physical Society, 57, (12007) [read online]
24 van Tol, J.; Nellutla, S.; Pati, M. and Dalal, N.S., 39K Hyperfine and Quadrupole Interaction in K3NbO8:Cr(V) Studied by Pulsed ENDOR at 240 GHz, 49th Annual Rocky Mountain Conf. on Analytical Chemistry, Breckenridge, CO, July 22-26 (2007)
## Awards
1 Dalal, Naresh, 2007 Florida Award from the American Chemical Society, (2007)
2 Dalal, Naresh, 2007 Southern Chemist Award from the Memphis Section of the American Chemical Society, (2007)

2006 Publications and Scientific Activities

## Peer-Reviewed Publications
1 Benmelouka, M.; van Tol, J.; Borel, A.; Port, M.; Helm, L.; Brunel, L.C. and Merbach, A.E., A high-frequency EPR study of frozen solutions of Gd-III complexes: Straightforward determination of the zero-field splitting parameters and simulation of the NMRD profiles, J. Am. Chem. Soc., 128, (24), 7807-7816 (2006)
2 Bi, L.-H.; Kortz, U.; Dickman, M.H.; Nellutla, S.; Dalal, N.S.; Keita, B.; Nadjo, L.; Prinz, M. and Neumann, M., Polyoxoanion with Octahedral Germanium(IV) Heteroatom: Synthesis, Structure, Magnetism, EPR, Electrochemistry and XPS Studies on the Mixed-Valence 14-Vanadogermanate, J. Cluster Science, 17, (2), 143-165 (2006)
3 Bortolus, M.; Ferrarini, A.; van Tol, J. and Maniero, A.L., Full determination of zero field splitting tensor of the excited triplet state of C-60 derivatives of arbitrary symmetry from high field TREPR in liquid crystals, J. Phys. Chem. B, 110, (7), 3220-3224 (2006)
4 Breiner, B.; Schlatterer, J.C.; Kovalenko, S.V.; Greenbaum, N.L. and Alabugin, I.V., Protected P-32-labels in deoxyribonucleotides: Investigation of sequence selectivity of DNA photocleavage by enediyne-, fulvene-, and acetylene-lysine conjugates, Angew. Chem. Int. Ed., 45, 3666-3670 (2006) [read online]
5 Budil, D.E.; Sale, K.L.; Khairy, K.A. and Fajer, P.G., Calculating Slow-Motional Electron Paramagnetic Resonance Spectra from Molecular Dynamics Using a Diffusion Operator Approach, J. Phys. Chem. A, 110, 3703 - 3713 (2006)
6 Cage, B.; Russek, S.E.; Shoemaker, R.; Barker, A.J.; Stoldt, C.; Ramachandaran, V. and Dalal, N.S., The utility of the single-molecule magnet Fe8 as a magnetic resonance imaging contrast agent over a broad range of concentration, Polyhedron, 10.1016, (Online 14 December), - (2006)
7 Chakov, N.E.; Lee, J.; Harter, A.G.; Hill, S.O.; Dalal, N.S.; Wernsdorfer, W.; Abboud, K.A. and Christou, G., The Properties of the [Mn12O12(O2CR)16(H2O)4] Single-Molecule Magnets in Truly Axial Symmetry: [Mn12O12(O2CCH2Br)16(H2O)4]•4(CH2Cl2), J. Am. Chem. Soc., 128, 6975-6989 (2006) [read online]
8 Chakov, N.E.; Lee, S.-C.; Harter, A.G.; Kuhns, P.L.; Reyes, A.P.; Hill, S.O.; Dalal, N.S.; Wernsdorfer, W.; Abboud, K.A. and Christou, G., The Properties of the [Mn12O12(O2CR)16(H2O)4] Single-Molecule Magnets in Truly Axial Symmetry:[Mn12O12(O2CCH2Br)16(H2O)4]· 4CH2Cl2, J. Am. Chem. Soc., 128, 6978 (2006)
9 Channels, L.; Tokumoto, T.; Jobiliong, E.; Brooks, J.S.; Nellutla, S. and Dalal, N.S., Dielectric, Electron Paramagnetic Resonance and Transport Properties of Spanish Moss, J. Low Temp. Phys., 142, 663 (2006)
10 Chen, L.; Ramsey, C.M.; Dalal, N.S.; Ren, T.; Cotton, F.A.; Wernsdorfer, W. and Chiorescu, I, Phonon-bottleneck enhanced magnetic hysteresis in a molecular paddlewheel complex of Ru2, Appl. Phys. Lett., 89, 252502 (2006) [read online]
11 Choi, K.Y.; Matsuda, Y.H.; Nojiri, H.; Ramsey, C.; Stowe, A.C.; Kortz. U. and Dalal, N.S., Observation of a half step magnetization in the Cu3-type triangular spin ring, Phys. Rev. Lett., 96, 107202 (2006)
12 Dalal, N.S.; Gunaydin-Sen, O.; Fu, R.; Achey, R. and Pierce K.L., High Resolution NMR Evidence for Displacive Behavior in Hydrogen-Bonded Ferroelectrics and Antiferroelectrics, Ferroelectrics, 337, 3-12 (2006) [read online]
13 Desrochers, P.J.; Telser, J.; Zvyagin, S.A.; Ozarowski, A.; Krzystek, J. and Vicic, D.A., Electronic structure of four-coordinate C3v nickel(II) scorpionate complexes: investigation by High-Frequency and -Field Electron Paramagnetic Resonance and electronic absorption spectroscopies, Inorg. Chem., 45, (22), 8930-8941 (2006) [read online]
14 Dobrzynska, D.; Jerzykiewicz, L. B.; Duczmal, M.; Wojciechowska, A.; Jablonska, K.; Palus, L. and Ozarowski, A., Structural, Spectroscopic, and Magnetic Study of Bis(9,10-dihydro-9-oxo-10-acridineacetate)bis(imidazole)bis(methanol) Nickel(II), Inorg. Chem., 45, 10479-10486 (2006) [read online]
15 Fajer, M.; Fajer, P.G. and Sale, K.L., Molecular Modeling of Spin Labels, Spin Labeling, 1, 253-259 (2006)
16 Fajer, P.G.; Brown, L. and Song, L., Practical Pulsed dipolar EPR (DEER), Spin Labeling, 1, (Chapter 4), 95-128 (2006)
17 Fajer, P.G.; Gyimesi, M.; Malnasi-Csizmadia, A.; Bagshaw, C.R.; Sen, K. and Song, L., Myosin cleft closure by double electron-electron resonance and dipolar EPR, J. Phys. -Condens. Mat., 18, 1-10 (2006)
18 Gunaydin-Sen, O.; Fu, R.; Achey, R. and Dalal, N.S., Order-Disorder and Displacive Behavior of the Cation (NH4+) Sites in the Hydrogen-Bonded Antiferroelectric NH4H2AsO4: 15N NMR Evidence, Ferroelectrics, 337, 153-160 (2006) [read online]
19 Jennings, T.L.; Schlatterer, J.C.; Singh, M.P.; Greenbaum, N.L. and Strouse, G.F., NSET Molecular Beacon Analysis of Hammerhead RNA Substrate Binding and Catalysis, J. Am. Chem. Soc., 6, (7), 1318-1324 (2006) [read online]
20 Khairy, K.; Budil, D. and Fajer, P., Nonlinear-Least-Squares Analysis of slow motional regime EPR Spectra, Magnet. Reson. Chem., 183, 152-9 (2006)
21 Krzystek, J.; Ozarowski, A. and Telser, J., Multi-frequency, high-field EPR as a powerful tool to accurately determine zero-field splitting in high-spin transition metal coordination complexes, Coord. Chem. Rev., 250, (17-18), 2308-2324 (2006) [read online]
22 Krzystek, J.; Ozarowski, A.; Liccocia, S.; Hoffman, B.M.; Goldberg, D.P.; Ziegler, C.J. and Telser, J., Electronic structure of reduced-symmetry porphyrinoids as investigated by high-frequency and -field EPR, J. Porphyrins Phthalocyanines, 10, 472-472 (2006)
23 Krzystek, J.; Zvyagin, S.A.; Ozarowski, A.; Trofimenko, S. and Telser, J., Tunable-frequency high-field electron paramagnetic resonance, J. Magn. Reson., 178, (2), 174-183 (2006) [read online]
24 Li, H.; Song, L.; Ellison, P.; Cremo, Ch. and Fajer, P., Regulatory and Catalytic Domain Dynamics of Smooth Muscle Myosin Filaments, Biochemistry, 45, 6212-21 (2006)
25 Magana, D.; Perera, S.C.; Harter, A.G.; Dalal, N.S. and Strouse, G.F., Switching-on Superparamagnetism in Mn/CdSe Quantum Dots, J. Am. Chem. Soc., 128, 2931 (2006) [read online]
26 McCarty, A.D.; Hassan, A.K.; Brunel, L.C.; Dziatkowski, K. and Furdyna, J.K., Dynamic spin-spin interactions in magnetically-concentrated II1-xMnxVI semiconductors: a study by high-field electron paramagnetic resonance, J. Appl. Phys., 99, (08D), 506 (2006)
27 Mestric, H.; Eichel, R.A.; Dinse, K.P.; Ozarowski, A.; van Tol, J.; Brunel, L.C.; Kungl, H.; Hoffmann, M.J.; Schonau, K.A.; Knapp, M. and Fuess, H., Iron-oxygen vacancy defect association in polycrystalline iron-modified PbZrO3 antiferroelectrics: Multifrequency electron paramagnetic resonance and Newman superposition model analysis, Phys. Rev. B, 73, (18), 184105 (2006)
28 Nesterov, D.S.; Kokozay, V.N.; Dyakonenko, V.V.; Shishkin, O.V.; Jezierska, J.; Ozarowski, A.; Kirillov, A.M.; Kopylovich, M.N. and Pombeiro, A.J.L., An Unprecedented Heterotrimetallic Fe/Cu/Co Core for Mild and Highly Efficient Catalytic Oxidation of Cycloalkanes by Hydrogen Peroxide, Chem. Commun. (Camb.), 2006, 4605-4607 (2006) [read online]
29 Rakvin, B.; Zilic, D.; Dalal, N.S.; Harter, A. and Sanakis, Y., Low-field EPR studies of levels near the top of the barrier in Mn12-acetate reveal a new magnetization relaxation pathway, Solid State Commun., 139, 51 (2006) [read online]
30 Schlatterer, J.C.; Crayton, S.H. and Greenbaum, N.L., Conformation of the Group II Intron Branch Site in Solution, J. Am. Chem. Soc., 128, 3866-3867 (2006) [read online]
31 Schroeder, K.T.; Skalicky, J.J. and Greenbaum, N.L., NMR spectroscopy of RNA duplexes containing pseudouridine in supercooled water, RNA Society, 11, 1012-1016 (2006) [read online]
32 Sen, I.; Fajer, P.; Murphy, J.; Harrison, R. and Logan, T., Mn(II) Binding by the Anthracis Repressor from Bacillus anthracis, Biochemistry, 45, 4295-4303 (2006)
33 Sienkiewicz, A.; Krzystek, J.; Vileno, B.; Chatain, G.; Kosar, A.J.; Bohle, D.S. and Forro, L., Multi-frequency high-field EPR study of iron centers in malarial pigments, J. Am. Chem. Soc., 128, (14), 4534-4535 (2006) [read online]
34 Smirnova, T.I.; Chadwick, T.G.; MacArthur, R.; Poluektov, O.; Song, L.; Ryan, M.M.; Schaaf, G. Bankaitis, V.A., The Chemistry of Phospholipid Binding by the Saccharomycescerevisiae Phosphatidylinositol Transfer Protein Sec14p asDetermined by EPR Spectroscopy, J. Biol. Chem., 281, (46), 34897–34908 (2006)
35 Smirnova, T.I.; Chadwick, T.G.; MacArthur, R.; Poluektov, O.; Song, L.; Ryan, M.M.; Schaff, G. and Bankaitis, V.A., The chemistry of phospholipid binding by the Saccharomyces cerevisiae phophatidylinositol transfer protein Sec14p as determined by EPR spectroscopy, J. Biol. Chem., 281, 34897-908 (2006)
36 Tecimer, M.; Brunel, L.C.; van Tol, J. and Neil, G., A Design Study of a FIR/THz FEL for High Magnetic Field Research, FEL06 Proceedings, FEL Oscillators and Long Wavelength FELs, -, 327 (2006)
37 Vileno, B.; Pierzchala, M.; Czuba, P.; Marcoux, A.; Graczyk, A.; Fajer, P.G.; Sienkiewicz, A. and Forro, L., Oxidative stress-mediated protein conformation changes: ESR study of spin labeled Staphylococcal nuclease, J. Phys. -Condens. Mat., 18, 11-21 (2006)
38 Zvyagin, S.A.; Wosnitza, J .; Kolezhuk, A.K.; Krzystek, J. and Feyerherm, R., Elementary excitations in S = 1/2 Heisenberg spin chains with alternating g-tensor and the Dzyaloshinskii-Moriya interaction, J. Phys. Conf. Ser., 51, 39-42 (2006) [read online]
39 Zvyagin, S.A.; Wosnitza, J.; Krzystek, J.; Stern, R.; Jaime, M.; Sasago, Y. and Uchinokura, K., Spin-triplet excitons in the S = 1/2 gapped antiferromagnet BaCuSi2O6: Electron paramagnetic resonance studies, Phys. Rev. B, 73, 094446 (2006) [read online]
## Presentations, Posters & Abstracts
1 Beznishenko, A.A.; Makhankova, V.G.; Kokozay, V.N.; Jezierska, J. and Ozarowski, A., Crystal Structures and Magnetic Properties of Heterometallic Cu/Mn Carboxylate Complexes Obtained by Direct Synthesis, XV-th School On Coordination Chemistry, Karpacz, Poland, December 4-8 (2006), Conference Proceedings, 95 (2006)
2 Brunel, L.C., Novel Approach in Electron Magnetic Resonance: Fundamentals and Aplications, 39th Int. Meeting of the Royal Society of Chemistry, Edinburgh, Scotland, April 2-5 (2006), Proc. Royal Society of Chemistry Meetings (2006)
3 Brunel, L.C.; Morley, G.W. and van Tol, J., Novel Approach to High Frequency Time Domain Electron Magnetic Resonance, 6th European Federation of EPR Groups Meeting, Madrid, Spain, September 5-8 (2006)
4 Brunel, L.C.; Morley, G.W. and van Tol, J., Novel Approach to High Frequency Time Domain Electron Magnetic Resonance: A Free Electron Based Spectrometer, 29th Int. EPR Symposium, Breckenridge, CO, July 22-26 (2006)
5 Harter, A.; Chakov, N.; Lampropoulos, C.; Christou, G.; Kuhns, P.; Reyes, A. and Dalal, N.S., Working Hard to Understand Relaxation: NMR and Single-Molecule Magnets, Florida Regional ACS Meeting, Orlando, FL, May (2006)
6 Harter, A.; Chakov, N.; Murugesu, M.; Christou, G.; Reyes, A.; Kuhns, P.; Hoch, M. and Dalal, N.S., Single-Molecule Magnets: A NMR Investigation, Naval Research Lab, Washington, DC, June (2006)
7 Harter, A.; Chakov, N.; Murugesu, M.; Christou, G.; Reyes, A.; Kuhns, P.; Hoch, M. and Dalal, N.S., Single-Molecule Magnets, Spin Liquids, and a Little Bit about Graduate School, Virginia Military Institute, Lexington, VA, March (2006)
8 Herchel, R.; Boca, R.; Krzystek, J.; Ozarowski, A. and Van Slageren, J., The Zero-Field Splitting in Dinuclear Ni(II) Complexes, XV-th School on Coordination Chemistry, Karpacz, Poland, December 4-8 (2006), Conf. Proc., 58 (2006)
9 Kaur, N.; Nellutla, S.; Dalal, N.S.; Cissel, J. and Vaid, T.P., Magnetic characterization of a newly synthesized [(CH3CN)5V-O-V(CH3CN)5], a V-O-V compound., 82nd Annual Florida Meeting and Exposition, Orlando, FL, May 11-13 (2006)
10 Kokozay, V.N.; Jezierska, J. and Ozarowski, A., Anionic Complexes as a Source of Building Blocks in Direct Synthesis of Heteropolynuclear Compounds, XV-th School on Coordination Chemistry, Karpacz, Poland, December 4-8 (2006), Conf. Proc., 60 (2006)
11 Konovalova, T.A.; Narasimhulu, K.V.; Pantelidou, M.; Bowman, M.K.; Ozarowski, A.; Brunel, L.-C.; MacMillan, F. and Redding, K.E., CW-Pulsed ENDOR, HYSCORE and HF-EPR Studies of Cyanobacterial Photosystem I Mutants with Altered P700 Hydrogen-Bonding Patterns, 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006), Book of Abstracts, 32
12 Krzystek, J., Electron Paramagnetic Resonance of Transition Metal Ions at Very High Frequencies and Magnetic Fields, Dept. de Química Inorgànica, Universtitat de Barcelona, Barcelona, Spain, July 13 (2006)
13 Krzystek, J., Electron Paramagnetic Resonance of Transition Metal Ions at Very High Frequencies and Magnetic Fields, Universitat de Valencia, Valencia, Spain, July 11 (2006)
14 Krzystek, J., Electron Paramagnetic Resonance of transition metal ions at very high frequencies and magnetic fields, University of California, Davis, CA, September 14 (2006)
15 Krzystek, J., Tunable-frequency EPR, Northwestern University, Evanston, IL, May 5 (2006)
16 Krzystek, J.; Ozarowski, A.; Chu, W.-C.; Wang, Z.-C.; Tsai, Y.-F.; Hsu, H.-F. and Telser, J., High-frequency and -field EPR investigation of vanadium(III) thiolate complexes of varying coordination number (n = 5, 6 and 7), 232nd American Chemical Society Meeting, San Francisco, CA, September 10-14 (2006)
17 Krzystek, J.; Ozarowski, A.; Desrochers, P.J.; Vicic, D.A.; Trofimenko, S. and Telser, J., High-Frequency and -Field EPR of High-Spin Cobalt(II) and Nickel(II) Scorpionate Complexes, 48th Rocky Mountain Conf. on Analytical Chemistry, Breckenridge, CO, July 23-27 (2006)
18 Krzystek, J.; Ozarowski, A.; Desrochers, P.J.; Vicic, D.A.; Trofimenko, S. and Telser, J., High-Frequency and -Field EPR of High-Spin Cobalt(II) and Nickel(II) Scorpionate Complexes, 37th Int. Conf. of Coordination Chemistry, Cape Town, Republic of South Africa, August 13-18 (2006)
19 Krzystek, J.; Ozarowski, A.; Desrochers, P.J.; Vicic, D.A.; Trofimenko, S. and Telser, J., High-frequency and -field Electron Paramagnetic Resonance of high-spin cobalt(II) and nickel(II) Scorpionate Complexes, 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006)
20 Krzystek, J.; Ozarowski, A.; Liccocia, S.; Hoffman, B.M.; Goldberg, D.P.; Ziegler, C.J. and Telser, J., Electronic structure of reduced-symmetry porphyrinoids as investigated by high-frequency and -field EPR, Int. Conf. on Porphyrins and Phthalocyanines, Rome, Italy, July 2-7 (2006), J. Porphyrins Phthalocyanines, 10, 472 (2006)
21 Morley, G.W. and van Tol, J., A Pulsed EPR Spectrometer Operating at 334, 221 and 112 GHz, Int. EPR Symposium of the Rocky Mountain Conf., Breckenridge, CO, July 23-26 (2006)
22 Morley, G.W.; Porfyrakis, K.; Ardavan, A. and van Tol, J., Two-Qubit Quantum Computing using Pulsed ESR of N@C60, American Physical Society March Meeting, Baltimore, MD, March 16 (2006)
23 Nellutla, S., Magnetic Studies and High-Field EPR of Peroxychromates: A Possible New Bose-Einstein Condensation System, 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006)
24 Nellutla, S., Polyoxometalates: A Versatile Source for Isolated Paramagneic Clusters, 4th Annual Florida Inorganic Mini Symposium, Gainesville, FL, October 14 (2006)
25 Nellutla, S.; Pati, M.; van Tol, J. and Dalal, N.S., Pulsed EPR Measurements on an Isolated S = 1/2 system: Cr(V) in a Diamagnetic Host, 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006)
26 Nellutla, S.; van Tol, J.; Dalal, N.S.; Mal, S. and Kortz, U., Magnetic and Structural Characterization of a New Tetranuclear Co(II) Substituted phosphotungstate., 48th Annual Rocky Mountain Conf. on Analytical Chemistry, Breckenridge, CO, July 23-27 (2006)
27 Ozarowski, A.; Jezierska, J.; Ciunik, Z. and Pochaba, A., High-Field EPR Studies on an Isomeric Pair Of Binuclear Iron(III) Complexes: The Red and Green [Fe(1,10-Phenanthroline)]2O(SO4)2×6H2O, XV-th School on Coordination Chemistry, Karpacz, Poland, December 4-8 (2006), Conf. Proc., 25-26 (2006)
28 Takahashi, S.; Morley, G.W.; Han, S.; Ramian, G.; Sherwin, M.S.; van Tol, J. and Brunel, L.C., High-Field, High Frequency Time Domain Electron Paramagnetic Resonance, 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006)
29 Takahashi, S.; Thompson, E.; Hill, S.; Tozer, S.W.; Harter, A.G. and Dalal, N.S., Pressure-dependence of the zero-field splittings for the Fe8 single-molecule magnet, American Physical Society March Meeting, Baltimore, MD, March 11-13 (2006)
30 Tecimer, M., A Compact Optical Klystron SASE FEL, 28th Int. Free Electron Laser Conf., Berlin, Germany, August 27-September 01 (2006)
31 Tecimer, M.; Brunel, L.C.; van Tol, J. and Neil, G., FIR/THz FEL Design Study for the NHMFL Initiative, 28th Int. Free Electron Laser Conf., Berlin, Germany, August 27-September 1 (2006)
32 Telser, J.; Krzystek, J.; Ozarowski, A.; Desrochers, P.J.; Vicic, D.A. and Trofimenko , S., High-frequency and -field electron paramagnetic resonance of high-spin cobalt(II) and nickel(II) “scorpionate” complexes: models for Zn and Ni metalloprotein active sites, 8th European Bioinorganic Chemistry Conf. (Eurobic-8), Aveiro, Portugal, July 1-6 (2006) [read online]
33 Telser, J.; Krzystek, J.; Ozarowski, A.; Smirnov, D.; Desrochers, P.J.; Trofimenko, S. and Swenson, D.C., High-Field and Frequency Electron Paramagnetic Resonance (HFEPR) Studies of Cobalt(II) and Nickel(II) Scorpionate Complexes, 89th Canadian Chemistry Conference, Halifax, NS, Canada, May 27-31 (2006)
34 Thompson, E.; Takahashi, S.; Harter, A.; Tozer, S.; Hill, S. and Dalal, N., Pressure-dependent high-frequency EPR studies of single-molecule magnets, Int. Conf. on Molecule-based Magnets (ICMM 2006), Victoria, Canada, August 13-17 (2006)
35 Tokumoto, T.; Oshima, Y.; Graf, D.; Brooks, J.S.; Van Tol, J.; Brunel, L.C. and Papavassiliou, G., Multiple spin sites in an organic conductor without magnetic ions, American Physical Society March Meeting, Baltimore, MD, March 13-17 (2006)
36 Tokumoto, T.; vanTol, J.; Krzystek, J.; Brunel, L-C.; Brooks, J.S.; Choi, E.S.; Oshima, Y.; Akutsu, H.; Kaihatsu, T. and Yamada, J., ESR Study of the Organic Conductor, ?-(BDA-TTP)2MCl4 (M=Fe,Ga), 35th Southeastern Magnetic Resonance Conf., Gainesville, FL, November 3-5 (2006)
37 Zvyagin, S.A.; Wosnitza, J.; Kolezhuk, A.K.; Krzystek, J. and Feyerherm, R., Spin excitations in S=1/2 AFM chains with alternating g-tensor and the Dzyaloshinskii-Moriya interaction, American Physical Society March Meeting, Baltimore, MD, March 13-17 (2006)
38 Zvyagin, S.A.; Wosnitza, J.; Kolezhuk, A.K.; Krzystek, J. and Feyerherm, R., Elementary Excitations in S = 1/2 Heisenberg Spin Chains with Alternating g-tensor and the Dzyaloshinskii-Moriya Interaction, Int. Conf. on Magnetism, Kyoto, Japan, August 20-25 (2006), J. Phys.: Conference Series, 51, 39-42 (2006) [read online]
39 van Tol, J., Playing with Electron Spins at High Magnetic Fields: Techniques and Applications, Physics Colloquium, University of Utah, Salt Lake City, UT, October 26 (2006)
40 van Tol, J., Fast Transient Electron Magnetic Resonance at 240 GHz, American Physical Society March Meeting, Baltimore, MD, March 15 (2006)
41 van Tol, J., Prospects of High-Field/Frequency Pulsed Electron Paramagnetic Resonance, Southeastern Magnetic Resonance Conference, Gainesville, FL, November 2006 (2006)
42 van Tol, J.; Morley, G.M. and Brunel, L.C., Status of Pulsed Electron Magnetic Resonance at the NHMFL, Workshop on FEL Design and Applications for High Magnetic Field Research, Thomas Jefferson National Accelerator Facility, Newport News, VA, January 22 (2006)
## Theses
1 Benmelouka, Meriem, "Multifrequency EPR Study of Zero Field Splitting of Gd(III) based MRI Contrast Agents in Solids and Liquids", Ecole Polytechnique Federale de Lausanne, Section de Chmie et Genie Chimique, advisor: A.E. Merbach and Lothar Helm (2006); degree: Ph.D.
2 Nellutla, Saritha, "Magnetic and High Field EPR Studies of New Spin-Frustrated Systems", Florida State University, Department of Chemistry and Biochemistry, advisor: Naresh S. Dalal (2006); degree: Ph.D.
3 Schroeder, Kersten T., "Structural Investigation of RNA-RNA and RNA-Protein Interactions Involving the pre-mRNA Branch Site REgion of the Functional Core of the Spliceosome", Florida State University, Chemistry and Biochemistry, advisor: Nancy L. Greenbaum (2006); degree: Ph.D.
## Grants
1 PI: A. Ozarowski and P. Guetlich,
Grant Title: High-Field EPR and Mössbauer Studies On the Spin Crossover And Light-Induced Excited Spin State Trapping In Iron(II) Complex Compounds
Agency: IHRP
Project Dates: 1/1/2007 - 12/31/2008
Amount: $124000
2 PI: J. Krzystek and J. Telser,
Grant Title: Probing Zero-Field Splittings of High-Electron Spin Iron Systems with Frequency-Domain Magnetic Resonance Spectroscopy
Agency: NHMFL IHRP
Project Dates: 01/01/2007 - 12/31/2008
Amount: $185,303
## Awards
1 Schroeder, Kersten T., Joseph M. Schor Fellowship in Biochemistry, (2006)

2005 Publications and Scientific Activities

## Peer-Reviewed Publications
1 Aromi, G.; Telser, J.; Ozarowski, A.; Brunel, L.-C.; Stoeckli-Evans, H.-M. and Krzystek, J., Synthesis, Crystal Structure, and High-Precision High-Frequency and -Field Electron Paramagnetic Resonance Investigation of a Manganese(III) Complex: [Mn(dbm)2(py)2](ClO4, Inorg. Chem., 44, (2), 187-196 (2005) [read online]
2 Bassil, B.S.; Nellutla, S.; Kortz, U.; Stowe, A.C.; van Tol, H.; Dalal, N.S.; Keita, B. and Nadjo, L., The Satellite-Shaped Co-15 Polyoxotungstate, [Co6(H2O)30{Co9Cl2(OH)3(H2O)9(Beta-SiW8O31), Inorg. Chem., 44, 2659 (2005)
3 Bi, Li-Hua; Kortz, U.; Nellutla, S.; Stowe, A.C.; van Tol, H.; Dalal, N.S.; Keita, B. and Nadjo, L., Structure, Electrochemistry and Magnetism of the First Iron(III)- Substituted Keggin Dimer, [Fe6(OH)3(A-Alpha-GeW9O34(OH)3)2]-11, Inorg. Chem., 44, 896 (2005)
4 Buvaylo, E.A.; Kokozay, V.N.; Vassilyeva, O.Yu.; Skelton, B.W.; Jezierska, J.; Brunel, L.C. and Ozarowski, A., A Cu-Zn-Cu-Zn heterometallomacrocycle shows significant antiferromagnetic coupling between paramagnetic centres mediated by diamagnetic metal, Chem. Commun. (Camb.), 39, 4976-4978 (2005) [read online]
5 Buvaylo, E.A.; Kokozay, V.N.; Vassilyeva, O.Yu.; Skelton, B.W.; Jezierska, J.; Brunel, L.C. and Ozarowski, A., High-Frequency, High-Field EPR; Magnetic Susceptibility; and X-ray Studies on a Ferromagnetic Heterometallic Complex of Diethanolamine (H2L), [Cu4(NH3)4(HL), Inorg. Chem., 44, (2), 206-216 (2005) [read online]
6 Cao, J.; Haraldsen, J.T.; Brown, S.; Musfeld, J.R.; Thompson, J.R.; Zvyagin, S.A.; Krzystek, J.; Whangbo, M.-H.; Nagler, S.E. and Torardi, C.C., Understanding low-energy magnetic excitations and hydrogen bonding in VOHPO4 ● 1/2 H2O, Phys. Rev. B, 72, 214421 (2005) [read online]
7 Eichel, R.-A.; Dinse, K.P.; Kungl, H.; Hoffmann, M.J.; Ozarowski, A.; van Tol, J. and Brunel, L.C., Exploring the morphotropic phase boundary in copper(II)-modified Pb[Zr0.54Ti0.46]O3 ferroelectrics, Applied Physics A: Materials Science and Processing, 80, (1), 51-54 (2005) [read online]
8 Eichel, R.A.; Mestric, H.; Dinse, K.P.; Ozarowski, A.; van Tol, J.; Brunel, L.C.; Kungl, H. and Hoffmann, M.J., High-field/high-frequency EPR of paramagnetic functional centers in Cu2+- and Fe3+-modified polycrystalline Pb[ZrxTi1-x]O3 ferroelectrics, Magnet. Reson. Chem., 43, (S1), S166-S173 (2005) [read online]
9 Fajer, P., Side directed spin labeling and pulsed dipolar EPR (DEER) of force activation in muscle, J. Phys. -Condens. Mat., 17, S1459S1469 (2005)
10 Harter, A.G.; Cage, B.; Nguyen, P.; Abbound, K.A. and Dalal, N.S., (NH4)3CrO8: A new S=1/2 system exhibiting no magnetic transition down to 0.3K, Polyhedron, 24, 2350 (2005) [read online]
11 Harter, A.G.; Chakov, N.E.; Achey, R.; Reyes, A.; Kuhns, P.; Christou, G. and Dalal, N.S., 55Mn NMR spectra of Mn12 single-molecule magnets: Single crystal versus aligned powder studies, Polyhedron, 24, 2346 (2005) [read online]
12 Harter, A.G.; Chakov, N.E.; Roberts, B.; Achey, R.; Reyes, A.P.; Kuhns, P.; Christou, G.; Dalal, N.S.;, Single-Crystal 55Mn NMR Spectra of two Mn12 Single-Molecule Magnets, Inorg. Chem., 44, (7), 2122 (2005) [read online]
13 Harvey, J. D.; Ziegler, C. J.; Telser, J.; Ozarowski, A. and Krzystek, J., High-Frequency and -Field EPR Investigation of a Manganese(III) N-Confused Porphyrin Complex, [Mn(NCTPP)(py)2], Inorg. Chem., 44, (13), 4451-4453 (2005) [read online]
14 Hendrickson, D.N.; Yang, E-C.; Isidro, R.M.; Kirman, C.; Lawrence, J.; Edwards, R.S.; Hill, S.; Yamaguchi, A.; Ishimoto, H.; Wernsdorfer, W.; Ramsey, C.; Dalal, N.S. and Olmstead, M.M., Origin of the Fast Magnetization Tunneling in Tetranuclear Nickel Single-Molecule Magnets, Polyhedron, 24, 2280 (2005)
15 Hill, S.; Anderson, N.; Wilson, A.; Takahashi, S.; Chakov, N. E.; Murugesu, M.; North, J.M.; Dalal, N.S. and Christou, G., A spectroscopic comparison between several high-symmetry S = 10 Mn12 single-molecule magnets, J. Appl. Phys., 97, 10M510 (2005)
16 Hill, S.; Anderson, N.; Wilson, A.; Takahashi, S.; Petukhov, K.; Chakov, N.E.; Murugesu, M.; North, J. M.; del Barco, E.; Kent, A.D.; Dalal, N.S. and Christou, G., A comparison between high-symmetry Mn12 single-molecule magnets in different ligand/solvent environments, Polyhedron, 24, 2284-2292 (2005)
17 Krzystek, J.; Ozarowski, A.; Trofimenko, S.; Zvyagin, S. A. and Telser, J., Tunable-frequency Electron Paramagnetic Resonance – a novel tool to high-spin transition metal coordination complexes, Adv. Coord. Bioinorg. Inorg. Chem., 2005, 143-158 (2005) [read online]
18 Lansky, D. E.; Mandimutsira, B.; Ramdhanie, B.; Clausen, M.; Penner-Hahn, J.; Zvyagin, S. A.; Telser, J.; Krzystek, J.; Zhan, R.; Ou, Z.; Kadish, K. M.; Zakharov, L.; Rheingold, A. L. and Goldberg, D. Synthesis, Characterization, and Physicochemical Properties of Manganese(III) and Manganese(V)-Oxo Corrolazines, Inorg. Chem., 44, (13), 4485-4498 (2005) [read online]
19 McCarty, A.D.; Hassan, A.K.; Brunel, L.C.; Dziatkowski, K. and Furdyna, J.K., Electron paramagnetic resonance shift in II1-xMnxVI diluted magnetic semiconductors in the presence of strong exchange coupling, Phys. Rev. Lett., 95, (15), 157201-1 (2005) [read online]
20 Morley, G.W.; Herbert, B.J.; Lee, S.M.; Porfyrakis, K.; Dennis, T.J.S.; Nguyen-Manh, D.; Scipioni, R.; van Tol, J.; Horsfield, A.P.; Ardavan, A.; Pettifor, D.G.; Green, J.C. and Briggs, G.A.D., Hyperfine Structure of Sc@C82 from ESR and DFT, Nanotechnology, 16, 2469-2473 (2005) [read online]
21 Nellutla, S.; van Tol, H.; Dalal, N.S.; Keita, B.; Nadjo, L.; Bi, Li-Hua and Kortz, U., Structure, Magnetism, EPR and Electrochemistry of the Penta-Copper(II) Substituted Tungstosilicate [Cu5(OH)4(H2O)2(A-a-SiW9O33)2, Inorg. Chem., 44, (26), 9795-9806 (2005)
22 Oshima, Y.; Jobiliong, E.; Brooks, J.S.; Zvyagin, S.A.; Krzystek, J.; Tanaka, H.; Kobayashi, A.; Cui, H. and Kobayashi, H., EMR Measurements of Field-Induced Superconductor Lambda-(BETS)2FexGa1-xCl4, Synthetic Met., 153, (1-3), 365-368 (2005) [read online]
23 Park, K.; Pederson, M.R.; Baruah, T.; Bernstein, N.; Kortus, J.; Richardson, S.L.; del Barco, E.; Kent, A.D.; Hill, S. and Dalal, N.S., Incommensurate Transverse Anisotropy Induced by Disorder and Spin-Orbit-Vibron Coupling in Mn12 acetate, J. Appl. Phys., 97, 10M505 (2005)
24 Punnoose, A.; Seehra, M.S.; van Tol, J. and Brunel, L.C., High-frequency electron magnetic resonance and magnetic studies of ferrihydrite nanoparticles and evidence of a phase transition, J. Magn. Magn. Mater., 288, (March), 168-172 (2005) [read online]
25 Sale, K.; Song, L.; Li, Y.; Perozo E. and Fajer, P., Improvement of EPR distance measurements using molecular modeling of spin probes, J. Am. Chem. Soc., 127, 9334-5 (2005)
26 Schroeder, K.T.; Skalicky, J.J. and Greenbaum, N.L., NMR spectroscopy of RNA duplexes containing pseudouridine in supercooled water, RNA Society, 11, 1012-1016 (2005)
27 Schroeder, K.T.; Skalicky, J.J. and Greenbaum, N.L., NMR spectroscopy of RNA duplexes containing pseudouridine in supercooled water, RNA, 11, 1012-1016 (2005) [read online]
28 Sebastian, S.E.; Yin, D.; Tanedo, P.; Jorge, G.A.; Harrison, N.; Jaime, M.; Mozharivskyj, Y.; Miller, G.; Krzystek, J.; Zvyagin, S.A. and Fisher, I.R., High-field behavior of the spin gap compound Sr2Cu(BO3)2, Phys. Rev. B, 71, (21), 212405 (2005) [read online]
29 Telser, J.; van Slageren, J.; Vongtragool, S.; Dressel, M.; Reiff, W.M.; Zvyagin, S.A.; Ozarowski, A. and Krzystek, J., High-frequency / high-field EPR spectroscopy of the high-spin ferrous ion in hexaaqua complexes, Magnet. Reson. Chem., 43, (S1), 130-139 (2005) [read online]
30 Yukawa, Y.; Aromí, G.; Igarashi, S.; Ribas, J.; Zvyagin, S.A. and Krzystek, J., [GdNi6] and [LnNi6]: High-field EPR spectroscopy and magnetic studies of exchange-coupled octahedral clusters, Angew. Chem. Int. Ed., 44, 1997-2001 (2005) [read online]
31 Zhou, Z.; DeSensi, S.C.; Stein, R.A.; Brandon, S.; Dixit, M.; McArdle, E.J.; Warren, E.M.; Kroh, H.K.; Song, L.; Cobb, C.E.; Hustedt, E.J. and Beth, A.H., Solution structure of the cytoplasmic domain of erythrocyte membrane band 3 determined by site-directed spin labeling, Biochemistry, 22;44(46), 15115-28 (2005)
32 Zhou, Z.; DeSensi, S.C.; Stein, R.A.; Brandon, S.; Dixit, N.; Mcardle, E.; Warren, E.; Kroh, H.; Song, L.; Cobb, C.E.; Hustedt, E.J. and Beth, A.H., Solution Structure of the Cytoplasmic Domain of Erythrocyte Membrane Band 3 by Site-Directed Spin Labeling, Biochemistry, 44, (46), 15115-15128 (2005)
33 Zipse, D.; Vasic, R.; Brooks, J.S.; Dalal, N.S. and Kogerler P., Dielectric and Transport Properties of the Single Molecule Magnet V15, Phys. Rev. B, 71, 064417 (2005)
34 Zvyagin, S. A.; Kolezhuk, A. K.; Krzystek, J. and Feyerherm, R., Electron spin resonance in sine-Gordon spin chains in the perturbative spinon regime, Phys. Rev. Lett., 95, (1), 017207 (2005) [read online]
35 del Barco, E.; Kent, A.D.; Hill, S.; North, J.M.; Dalal, N.S.; Rumberger, E.M.; Hendrickson, D.N.; Chakov, N. and Christou, G., The Symmetry of Magnetic Quantum Tunneling in Single Molecule Magnet Mn12, J. Low Temp. Phys., 140, 119-174 (2005)
36 van Tol, J.; Brunel, L.C. and Wylde, R.J., A quasioptical transient electron spin resonance spectrometer operating at 120 and 240 GHz, Rev. Sci. Instrum., 76, (7), 074101-1 (2005) [read online]
## Presentations, Posters & Abstracts
1 Bortolus, M.; van Tol, J.; Prato, M. and Maniero, A.L., High-Field Transient Electron Paramagnetic Resonance of Excited Triplet States, APS March meeting, Los Angeles, 03/25/05 (2005)
2 Chamoun, J.; Song, L.; Brown, L.J. and Fajer, P.G., Movement of the switch peptide of TnI in Cardiac Troponin – dipolar EPR and site-directed spin labeling, 49th Annual Meeting of Biophysical Society 2005, February (2005), Biophysical Journal
3 Harter, A.; Chakov, N.; Achey, R.; Reyes, A.P.; Kuhns, P.; Christou, G. and Dalal, N., Mn-55 NMR Lineshape and Relaxation in Single Molecule Magnets: Quadrupolar Effect vs. Site-Splitting, Physical Phenomena in High Magnetic Fields V, Tallahassee, FL, August 5-9 (2005)
4 Harter, A.; Chakov, N.; Achey, R.M.; Christou, G.; Kuhns, P.; Reyes, A. and Dalal, N.S., 55Mn NMR Relaxation and Angular Dependence of Mn12-BrAc, Regional American Physical Society Meeting, University of Florida, Gainesville, November (2005)
5 Harter, A.G.; Chakov, N.E.; Murugesu, M.; Christou, G.; Reyes, A.; Kuhns, P.; Hoch, M. and Dalal, N.S., NMR of Single Crystals of Mn12-acetate and its Variants, Florida Inorganic Mini Symposium, University of Florida, Gainesville, September (2005)
6 Krzystek, J., Tunable-Frequency / High-Field EPR Spectroscopy of High-Spin Transition Metal Complexes, Graduate College for Magnetic Resonance, Universitaet Stuttgart, Germany, June 13 (2005)
7 Krzystek, J., Tunable-Frequency / High-Field EPR Spectroscopy of High-Spin Transition Metal Complexes, Ecole Polytechnique Federale, Lausanne, Switzerland, June 17 (2005)
8 Krzystek, J.; Ozarowski, A.; Trofimenko, S.; Zvyagin, S.A. and Telser, J., Tunable-frequency Electron Paramagnetic Resonance - a Novel Tool to Investigate High-Spin Transition Metal Complexes, 20th Int. Conf. on Coordination and Bioinorganic Chemistry, Smolenice, Slovakia, June 5-10 (2005), Advances in Coordination and Bioinorganic Chemistry, 143-158 (2005)
9 Lee, S.M.; Herbert, B.J.; Green, J.C.; Nguyen-Manh, D.; Ardavan, A.; van Tol, J.; Horsfield, A.P.; Morley, G.W.; Porfyrakis, K.; Pettifor, D.G. and Briggs, G.A.D., Hyperfine coupling of endohedral fullerene Sc@C82, APS March meeting, Los Angeles, 03/25/06 (2005)
10 Liang, H.; Song, L.; Hartvig, N.; Li, H.; Cremo C. and Fajer P., Determination of the conformation of smooth muscle myosin by CW and Dipolar EPR, 49th Annual Meeting of Biophysical Society, February (2005), Biophysical Journal
11 Morley, G.W., A Complete Scheme for Two-Qubit Quantum Computation Based on Pulsed EPR of 15N@C60, South-East Magnetic Resonance Conference, Atlanta, GA, November 13 (2005)
12 Morley, G.W., A Complete Scheme for Two-Qubit Quantum Computation Based on Pulsed EPR of 15N@C60, FSU Physical Chemistry Seminar, Tallahassee, FL, September 26 (2005)
13 Morley, G.W., A Complete Scheme for Quantum Computing Based on Pulsed ESR of N@C60, International EPR Symposium, Denver, CO, August 4 (2005)
14 Morley, G.W.; van Tol, J.; Zhang, J.; Jones, M.A.G.; Khlobystov, A.N.; Porfyrakis, K.; Ardavan, A. and Briggs, G.A.D., Complete Scheme for Two-Qubit Quantum Computing using Pulsed ESR of 15N@C60, APS, Los Angeles, 03/23/2005 (2005)
15 Morley, G.W.; van Tol, J.; Zhang, J.; Jones, M.A.G.; Porfyrakis, K.; Briggs, G.A.D. and Ardavan, A., A Complete Scheme for Two-Qubit Quantum Computation Based on Pulsed EPR of 15N@C60, Physical Phenomena at High Magnetic Fields, Tallahassee, FL, August 8 (2005)
16 Nellutla, S.; van Tol, H.; Dalal, N.S.; Bi, Li-Hua and Kortz, U., A Cu5 Complex as a Model 5 - Spin Frustrated System Studied by High-Field EPR and Magnetization, Physical Phenomena at High Magnetic Fields-V, Tallahassee, FL, August 5-9 (2005)
17 Nellutla, S.; van Tol, H.; Dalal, N.S.; Mal, S. and Kortz, U., A Cu20 Inorganic Compound for Studies of Complex Spin Frustrated Systems: Variable Frequency EPR, Magnetization and Theoretical Investigations, Physical Phenomena at High Magnetic Fields-V., Tallahassee, FL, August 5-9 (2005)
18 Ozarowski, A., Electron Paramagnetic Resonance at High Fields and Frequencies: Studies on Some High-Spin Systems, Department of Chemistry, Wroclaw University, Poland, October 4 (2005)
19 Ozarowski, A.; Krzystek, J. and Brunel, L.C., New Methods in EPR: High-Field, High-Frequency Studies on Two Systems with Very Large Zero-Field Splitting, Xth Int. Symposium on Bioinorganic Chemistry, Szklarska Poreba, Poland, September 20-25 (2005), Book of Abstracts, Xth International Symposium on Bioinorganic Chemistry, 92 (2005)
20 Ozarowski, A.; Krzystek, J. and Brunel, L.C., Application of the High-Field, High-Frequency EPR to Studies on Polynuclear Transition Metal Complexes, 34th Southeastern Magnetic Resonance Conference, Atlanta, GA, November 12-13 (2005), Abstracts of the 34th SEMRC, 26 (2005)
21 Reiff, W.M.; LaPointe, A.M.; Schulz, C.E.; Miyazaki, Y.; Sorai, M.; Dai, D.; Whangbo, M.H.; Krzystek, J. and Zvyagin, S.A., Initial Observation of Mega-Gauss Internal Hyperfine Fields at Rigorously Linear Two Coordinate High-Spin Ferrous Centers: Consequences of the Absence of Jahn-Tellser Distortion, Int. Conf. on the Applications of the Mossbauer Effect, Montpellier, France, September 5-9 (2005)
22 Sen, O.G.; Achey, R.; Fu, R. and Dalal, N.S., High Resolution 15N and 31P NMR of Antiferroelectric Phase Transitions in Ammonium Dihydrogen Arsenate and Phosphate, APS, March Meeting, Los Angeles, CA, March 22-25 (2005)
23 Sen, O.G.; Achey, R.; Fu, R. and Dalal, N.S., Coexistence of the Displacive and Order-Disorder Behavior of the NH4+ ions in NH4H2AsO4 and NH4H2PO4: 15N NMR Evidence, 11th International Meeting on Ferroelectricity, Cataratas del Iguazu, Argentina/ Foz do Iguacu, Brazil, September 5-9 (2005)
24 Sen, O.G.; Achey, R.; Fu, R. and Dalal, N.S., 31P High Resolution NMR evidence for the Role of Electronic Instability in the Phase Transitions in Antiferroelectric NH4H2PO4: Comparison with KH2, 11th International Meeting on Ferroelectricity, Cataratas del Iguazu, Argentina/ Foz do Iguacu, Brazil, September 5-9 (2005)
25 Sen, O.G.; Achey, R.; Fu, R. and Dalal, N.S., High Resolution NMR Studies of Ferroelectrics and Antiferroelectrics, 11th International Meeting on Ferroelectricity, Cataratas del Iguazu, Argentina/ Foz do Iguacu, Brazil, September 5-9 (2005)
26 Sen, O.G.; Achey, R.; Fu, R. and Dalal, N.S., NMR Evidence for Order-Disorder and Displacive Behavior in KH2PO4-type Ferroelectric Crystals, Physical Phenomena at High Magnetic Fields–V, Tallahassee, FL, August 5-9 (2005)
27 Song, L.; Fajer, P.; Málnási-Csizmadia, A. and Bagshaw, C., Myosin Cleft Closure in Muscle Contraction by Dipolar EPR, 47th Rocky Mountain Conference, August (2005)
28 Song, L.; Málnási-Csizmadia, A.; Bagshaw, C. and Fajer, P., Myosin cleft closure in muscle contraction by dipolar EPR, 49th Annual Meeting of Biophysical Society, Feb (2005), Biophysical Journal
29 Suslov, A.; Svitelskiy, O.; Zhang, X.; Crow, J. and Shulyatev, D., Angular dependence of magnetoacoustic interaction in Sr2RuO4, 2005 APS March Meeting, Los Angeles, CA, March 21-25 (2005) [read online]
30 Tokumoto, T.; Oshima, Y.; Graf, D.; Brooks, J.S.; Van Tol, J.; Brunel, L.C. and Papavassiliou, G., What is the origin of multiple spin sites in an organic conductor without magnetic ions?, 34th Southeastern Magnetic Resonance Cinference, Emory Univ. at Atlanta, GA, November 11-13 (2005)
31 Zvyagin, S.A.; Kolezhuk, A.K.; Krzystek, J. and Feyerherm, R., Solitary waves in S = 1/2 quantum spin chains: ESR study in magnetic field