Electronic spectrum of ethylene from 6 to 9 eV: New insights from wavepacket dynamics calculations

Jae Seok Ryu, Bruce S. Hudson

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

The traditional assignment of the electronic spectrum of ethylene in the 6 to 9 eV region is challenged, and a new assignment for this region is proposed. In order to fit the observed spectra with the traditional assignment, it is necessary to use a very large value for the N→R(3s) oscillator strength and a very small value for the N→V transition strength. Both of these values disagree with the results of an ab initio calculation. Hence, the traditional assignment is rejected and an alternative is sought. The most likely explanation for the strong structured absorption beginning at 57,500 cm -1 is that it results from transitions to two coupled surfaces due to the N→V state with B 1u symmetry and to a Rydberg state of π3p y origin with B 1g symmetry. This new assignment of the ethylene spectrum predicts a constant depolarization. The traditional assignment predicts strong dispersion, which is calculated.

Original languageEnglish (US)
Pages (from-to)282-292
Number of pages11
JournalJournal of the Korean Physical Society
Volume31
Issue number2
StatePublished - Dec 1 1997

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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