The electronic spectra of carbonyl compounds-II. Spectra and molecular orbital calculations for typical acetyl and benzoyl systems

K. Yates, Sandra L. Klemenko, I. Csizmadia

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Abstract

The electronic and steric effects of a substituent X in typical acetyl (CH3COX) and benzoyl (PhCOX) systems have been investigated experimentally (ultraviolet spectra) and theoretically (LCAO-MO calculations). The good semiquantitative agreement between calculated and observed results (based on a study of twenty-six different carbonyl derivatives) allows some general conclusions to be drawn concerning the effects of substituents on the electronic transitions.

Original languageEnglish
Pages (from-to)765-778
Number of pages14
JournalSpectrochimica Acta Part A: Molecular Spectroscopy
Volume25
Issue number4
Publication statusPublished - Apr 1969

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Orbital calculations
Carbonyl compounds
Molecular orbitals
Derivatives

ASJC Scopus subject areas

  • Engineering(all)

Cite this

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abstract = "The electronic and steric effects of a substituent X in typical acetyl (CH3COX) and benzoyl (PhCOX) systems have been investigated experimentally (ultraviolet spectra) and theoretically (LCAO-MO calculations). The good semiquantitative agreement between calculated and observed results (based on a study of twenty-six different carbonyl derivatives) allows some general conclusions to be drawn concerning the effects of substituents on the electronic transitions.",
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