Exact Results for EPR g and A Tensors in the S1 = 1, 3/2, 2, 5/2, S2 = ½ Spin-Coupled Systems. The Effect When S is Not a Good Quantum Number
William B. Euler, Inorganic Chemistry, 1986, 25, 1871 1875
Exact expressions for the EPR g and A tensors in spin-coupled systems are given in terms of the parameters from the isolated spins for S1 = 1, 3/2, 2, 5/2 and S2 = ½. These results include the effect of interactions between different spin manifolds, i.e. when S is not a good quantum number. The g tensor and the hyperfine tensors are rather sensitive measures of the intermanifold coupling, thus making EPR an excellent probe of spin-coupling parameters. The resonance positions for selected spin states are given in terms of observed g values. In the presence of significant intermanifold interaction the observed g values along the major axes do not simply correspond to the principal components of the molecular g tensor.