Effects of non-collinear fine and hyperfine structure on the zero-field electron magnetic resonance of [Cu-2(pmdien)(2)(N-3)(2)][BPh4](2)

摘要

The zero-field electron magnetic spectrum of [Cu-2(pmdien)(2)(N-3)(2)][BPh4](2) has been analysed in terms of an electron spin triplet interacting with two equivalent nuclear spin quartets. The effect of non-collinear zero-field splitting and hyperfine tensors on the transition frequencies is emphasized for this particular spin system. The Euler rotation angles a and gamma have little effect on the spectrum whereas beta not equal 0 leads to an effective reduction in A(z) for the D - E and 2E branches of the triplet spectrum but has no effect on the D + E branch. Least-squares analysis produced spin-Hamiltonian parameters D = 2546.3 MHz, E = 450.1 MHz, A(z) = 261.5 MHz and the angle beta = 23.9 degrees. [References: 16]