The A and B terms of magnetic circular dichroism revisited.
The temperature-independent part of the magnetic circular dichroism spectrum is conventionally divided into the Faraday A and B terms, where the A term is nonzero only for systems with degenerate states. We propose that this separation is abandoned in favor of a unified temperature-independent term. This proposal is based on complex polarization propagator calculations on three structurally similar porphyrins. These calculations also suggest that the Soret band of Zn-porphyrin is determined by an isolated degenerate 2E u state.
Solheim
Harald
H
Ruud
Kenneth
K
Coriani
Sonia
S
Norman
Patrick
P