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 2Eu state
The A and B Terms of Magnetic Circular Dichroism Revisited / Solheim, H; Ruud, K; Coriani, Sonia; AND NORMAN, P.. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - STAMPA. - 112:(2008), pp. 9615-9618. [10.1021/jp803135x]
The A and B Terms of Magnetic Circular Dichroism Revisited
CORIANI, Sonia;
2008-01-01
Abstract
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 2Eu statePubblicazioni consigliate
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