Magnetic Circular Dichroism of Molecules in Dense Media: Benzene*
AUTOR(ES)
Shieh, D. J.
RESUMO
This paper presents some calculated results on the vibrational structuring of the magnetic circular dichroism of the benzene 1A1g“1B2u transition. The good agreement between the experimental and calculated relative intensities of the B-bands (positive magnetic circular dichroism bands) indicates that these bands are mainly induced by the e2g 1596 cm-1 mode. The unfavorable results obtained by comparison of the theoretical results with experimental results for the A-bands (negative magnetic circular dichroism bands) is presumably due to neglect of the contribution from the e2g 3056 cm-1 mode, from hot bands, and from the transitions of normal modes other than the A1g 992 cm-1 mode. It should be noticed that while the e2g 608 cm-1 mode plays a dominating role in the ultraviolet spectrum of benzene, in the magnetic circular dichroism of benzene, the e2g 1596 cm-1 mode is, if not more important, at least as important as the e2g 608 cm-1 mode.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=426854Documentos Relacionados
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