Polarization of the lowest-energy allowed transition of β-ionylidene crotonic acid and the electronic structure of the polyenes

Lawrence J. Parkhurst, Basil G. Anex

Research output: Contribution to journalArticle

16 Citations (Scopus)

Abstract

Polarized specular reflection spectra have been obtained for two faces of the all-trans β-ionylidene crotonic acid single crystal in the 700-to-220-mμ region. Visual inspection of these results leads to the assignment of the absolute polarization of the lowest allowed transition, which is believed to be the first accurate absolute assignment for a polyene-related compound. The polarization is confirmed by the integrated intensities of the absorption bands derived through a Kramers-Kronig analysis of the reflection data. The relationship between the experimental polarization and that predicted by various zero-order theories that have been applied to the polyenes is examined and the effect of refinements in these theories on the direction and magnitude of the transition moment explored.

Original languageEnglish (US)
Pages (from-to)862-873
Number of pages12
JournalThe Journal of Chemical Physics
Volume45
Issue number3
DOIs
StatePublished - Jan 1 1966

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Polyenes
Electron transitions
Electronic structure
Polarization
electronic structure
acids
polarization
specular reflection
energy
Absorption spectra
inspection
Inspection
Single crystals
absorption spectra
moments
single crystals
crotonic acid

ASJC Scopus subject areas

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

Cite this

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N2 - Polarized specular reflection spectra have been obtained for two faces of the all-trans β-ionylidene crotonic acid single crystal in the 700-to-220-mμ region. Visual inspection of these results leads to the assignment of the absolute polarization of the lowest allowed transition, which is believed to be the first accurate absolute assignment for a polyene-related compound. The polarization is confirmed by the integrated intensities of the absorption bands derived through a Kramers-Kronig analysis of the reflection data. The relationship between the experimental polarization and that predicted by various zero-order theories that have been applied to the polyenes is examined and the effect of refinements in these theories on the direction and magnitude of the transition moment explored.

AB - Polarized specular reflection spectra have been obtained for two faces of the all-trans β-ionylidene crotonic acid single crystal in the 700-to-220-mμ region. Visual inspection of these results leads to the assignment of the absolute polarization of the lowest allowed transition, which is believed to be the first accurate absolute assignment for a polyene-related compound. The polarization is confirmed by the integrated intensities of the absorption bands derived through a Kramers-Kronig analysis of the reflection data. The relationship between the experimental polarization and that predicted by various zero-order theories that have been applied to the polyenes is examined and the effect of refinements in these theories on the direction and magnitude of the transition moment explored.

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