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The A and B terms of magnetic circular dichroism revisited
Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø, Tromsø, Norway.
Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø, Tromsø, Norway.
Dipartimento di Scienze Chimiche, Università degli Studi di Trieste, Via L Giorgieri 1, I-34127 Trieste, Italy and Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, Blindern, Oslo, Norway.
Linköping University, Department of Physics, Chemistry and Biology, Computational Physics. Linköping University, The Institute of Technology.
2008 (English)In: Journal of Physical Chemistry A, ISSN 1089-5639, E-ISSN 1520-5215, Vol. 112, no 40, 9615-9618 p.Article in journal, Letter (Other academic) Published
Abstract [en]

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. © 2008 American Chemical Society.

Place, publisher, year, edition, pages
Washington, DC, USA: American Chemical Society (ACS), 2008. Vol. 112, no 40, 9615-9618 p.
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-49877DOI: 10.1021/jp803135xISI: 000259760300001OAI: oai:DiVA.org:liu-49877DiVA: diva2:270773
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2017-12-12Bibliographically approved

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Norman, Patrick

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