Journal
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Volume 56, Issue 14, Pages 2775-2781Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S1386-1425(00)00322-X
Keywords
Cu(II) EPR; hexakis(2-pyridone)copper(II) fluoborate; low symmetry; admixed ground state
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Single crystal electron paramagnetic resonance (EPR) of Cu(C5H5NO)(6)(BF4)(2) is studied at 300 K. The spin Hamiltonian parameters obtained at 300 K are A(11) = - 149.8, A(22) = - 50.7 and A(33) = - 37.7 (all in units of 10(-4) cm(-1)), g(11) = 2.3452, g(22) = 2.0679 and g(33) = 2.0695. Angular Variation of hyperfine structure lines shows the presence of a single magnetic site. The low magnitude of the A(11) value for Cu(C5H5NO)(6)(BF4)(2) is rationalized in terms of a mixed d(x2.y2)/d(z2) ground state. (C) 2000 Elsevier Science B.V. All rights reserved.
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