Abstract
Single-crystal W-band (95 GHz) electron paramagnetic resonance (EPR) studies have been performed at 20 K and at room temperature on a tetragonal Mn(III) compound with potential application as a building block for high-spin clusters. The observed EPR spectra correspond to an anisotropic high-spinS = 2 ground state and have been attributed to equivalent centers related by four-fold symmetry. Accurate values for the spin Hamiltonian parameters were obtained from the analysis of the data at both temperatures. At 20 K the contribution of fourth-order zero-field splitting terms was shown to be significant, with parameter values B 04 = 0.0009(3) cm−1, B 24 = 0.0006(2) cm−1 and B 44 = 0.0017(3) cm−1, to be considered together with the second-order parametersD = −1.1677(7) cm−1 andE= −0.0135(6) cm−1.
Similar content being viewed by others
References
Sessoli R., Gatteschi D., Caneschi A., Novak M.A.: Nature365, 141 (1993)
Barra A.L., Brunei L.-C., Gatteschi D., Pardi L., Sessoli R.: Acc. Chem. Res.31, 460 (1998)
Christou G., Gatteschi D., Hendrickson D.N., Sessoli R.: MRS Bull.25, 66 (2000)
Ruiz-Molina D., Christou G., Hendrickson D.N.: Mol. Cryst. Liq. Cryst.343, 335 (2000)
Barra A.L., Gatteschi D., Sessoli R.: Phys. Rev. B56, 8192 (1997)
Barra A.L., Gatteschi D., Sessoli R.: Chem. Eur. J.6, 1608 (2000)
Bouwen A., Caneschi A., Gatteschi D., Goovaerts E., Schoemaker D., Sorace L., Stefan M.: J. Phys. Chem. B105, 2658 (2001)
Bencini A., Gatteschi D.: EPR of Exchange Coupled Systems. Berlin: Springer 1990.
Abbati G.L., Brunei L.-C., Casalta H., Cornia A., Fabretti A.C., Gatteschi D., Hassan A., Jansen A.G.M., Maniero A.L., Pardi L., Paulsen C., Segre U.: Chem. Eur. J.7, 1796 (2001)
Barra A.-L., Gatteschi D., Sessoli R., Abbati G.L., Cornia A., Fabretti A.C., Uytterhoeven M.G.: Angew. Chem. Int. Ed. Engl.36, 2329 (1997)
Krzystek J., Telser J., Pardi L., Goldberg D.P., Hoffmann B.M., Brunei L.-C.: Inorg. Chem.38, 6121 (1999)
Bendix J., Gray H.B., Golubkov G., Gross Z.: Chem. Commun.2000, 1957.
Basler R., Tregenna-Piggott P.L.W., Andres H., Dobe C., Güdel H.U., Janssen S., Mclntyre G.J.: J. Am. Chem. Soc.123, 3377 (2001)
Limburg J., Vrettos J.S., Crabtree R.H., Brudvig G.W., de Paula J.C., Hassan A., Barra A.-L., Duboc-Toia C., Collomb M.-N.: Inorg. Chem.40, 1698 (2000)
Abragam A., Bleaney B.: Electron Paramagnetic Resonance of Transition Metal Ions. Oxford: Oxford University Press 1970.
Bencini A., Ciofini I., Uytterhoeven M.G.: Inorg. Chim. Acta274, 90 (1998)
Daugherty P.A., Glerup J., Goodson P.A., Hodgson D.J., Michelsen K.: Acta Chem. Scand.45, 244 (1991)
Press W.H., Flannery B.P., Teukolsky S.A., Vetterling W.T.: Numerical Recipes. The Art of Scientific Computing. Cambridge: Cambridge University Press 1987.
Griffith J.S.: The Theory of Transition Metal Ions. Cambridge: Cambridge University Press 1970.
Gerritsen H.J., Sabisky E.S.: Phys. Rev.132, 1507 (1963)
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Mossin, S., Stefan, M., ter Heerdt, P. et al. Fourth-order zero-field splitting parameters of [Mn(cyclam)Br2]Br determined by single-crystal W-band EPR. Appl. Magn. Reson. 21, 587–596 (2001). https://doi.org/10.1007/BF03162431
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF03162431