A new interpretation of the electronic spectrum of ethylene from 6-8 eV

Jae seok Ryu, Bruce S. Hudson

Research output: Contribution to journalArticle

30 Scopus citations

Abstract

The traditional assignment of the electronic spectrum of ethylene in terms of a π-π* N-V excitation and an overlapping π-3s Rydberg excitation is shown to be widely inconsistent with the oscillator strengths calculated for these transitions. A spectral intensity calculation based on intersecting N-V (B1u) and π-3py (B1g) surfaces, as proposed by Petrongolo et al., is shown to result in a vibronic spectrum in reasonably good agreement with experiment. This revised assignment provides much better overall agreement between theory and experiment than the traditional assignment for which, it is argued, there is no convincing evidence.

Original languageEnglish (US)
Pages (from-to)448-454
Number of pages7
JournalChemical Physics Letters
Volume245
Issue number4-5
DOIs
StatePublished - Nov 3 1995

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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