Magnetic Circular Dichroism of Molecules in Dense Media: Benzene*
- D. J. Shieh,
- S. H. Lin†, and
- H. Eyring
Abstract
This paper presents some calculated results on the vibrational structuring of the magnetic circular dichroism of the benzene 1 A 1g“1 B 2u 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 e 2g 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 e 2g 3056 cm-1 mode, from hot bands, and from the transitions of normal modes other than the A 1g 992 cm-1 mode. It should be noticed that while the e 2g 608 cm-1 mode plays a dominating role in the ultraviolet spectrum of benzene, in the magnetic circular dichroism of benzene, the e 2g 1596 cm-1 mode is, if not more important, at least as important as the e 2g 608 cm-1 mode.
Footnotes
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↵ * This is paper no. II in the series, ”Magnetic Circular Dichroism of Molecules in Dense Media.“ Paper no. I of this series is ref. 7.
