title: Single crystal EPR of Cu(C5H5NO)6(BF4)2: an example of admixed ground state.
abstract: 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 A11 = -149.8, A22 = -50.7 and A33 = -37.7 (all in units of 10(-4) cm(-1)), g11 = 2.3452, g22 = 2.0679 and g33 = 2.0695. Angular variation of hyperfine structure lines shows the presence of a single magnetic site. The low magnitude of the A11 value for Cu(C5H5NO)6(BF4)2 is rationalized in terms of a mixed d(x2-y2)/d(z2) ground state.
authors.affiliation: Department of Microprocessor and Computers, School of Physics, Madurai Kamaraj University, Madurai, India.
authors.forename: A M
authors.initials: AM
authors.lastname: Benial
authors.forename: V
authors.initials: V
authors.lastname: Ramakrishnan
authors.forename: R
authors.initials: R
authors.lastname: Murugesan
mesh_terms: D003300:Copper / Q000737:chemistry; D004578:Electron Spin Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D009942:Organometallic Compounds / Q000737:chemistry*; D011725:Pyridines / Q000737:chemistry*
chemical_list: D009942:Organometallic Compounds; D011725:Pyridines; C424697:hexakis(2-pyridine)copper(II); D003300:Copper