The circular dichroism of the carbonyl n-π* transition: An independent systems/perturbation approach

Alison Rodger*, P. Mark Rodger

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)

Abstract

An independent systems/perturbation approach is used to determine analytic expressions for the circular dichroism (CD) of the n-π* transition in carbonyl compounds. It is shown that all available experimental data can be understood in terms of the predictions made by this theory. In general, for uncharged, nonpolar systems, the CD varies according to the octant sector rule of Moffitt et al.;1 however, exceptions to this rule do arise for certain geometries and for situations in which the substituents on the compounds exclude the solvent in an unsymmetrical manner. Different geometry dependences are derived for polar and charged species and are found to explain the existing data.

Original languageEnglish
Pages (from-to)2361-2368
Number of pages8
JournalJournal of the American Chemical Society
Volume110
Issue number8
Publication statusPublished - 1988
Externally publishedYes

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