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The electronic spectra of carbonyl compounds—I. Spectra and molecular orbital calculations for α-silyl and α-germyl ketones

Authors
Journal
Spectrochimica Acta Part A Molecular Spectroscopy
0584-8539
Publisher
Elsevier
Publication Date
Volume
24
Issue
2
Identifiers
DOI: 10.1016/0584-8539(68)80023-6

Abstract

Abstract The electronic spectra of R 3XCOR′ molecules (X = C, Si, Ge; R, R′ = Ph, Me) have been measured in a variety of solvents over the range 20,000–55,000 cm −1. The large red shifts of the n → π* bands and the small red shifts of the π → π* bands which arise from α-silicon or α-germanium substitution are considered in terms of the σ-donor and π-acceptor properties of these two atoms relative to carbon. Both simple and extended Hückel molecular orbital calculations have been made on this type of system in an attempt to explain the observed effect. The calculated results support the conclusion that it is the σ-donor properties of silicon and germanium which are primarily responsible for the observed spectral shifts, and that any possible p π— d π interactions are of minor importance.

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