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A He(I) ultraviolet photoelectron spectroscopic and computational study of the electronic structure of phenyl and pyridinyl diazoketones and diazoesters

โœ Scribed by Heidi M Muchall; Nick H Werstiuk; Jason L Pitters; Mark S Workentin

Publisher
Elsevier Science
Year
1999
Tongue
French
Weight
567 KB
Volume
55
Category
Article
ISSN
0040-4020

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โœฆ Synopsis

The He(I) photoelectron spectra of five phenyl and pyridinyl diazoketones and diazoesters 2a, 2b, 3, 4a, and 4b have been recorded and their structures and orbital energies have been calculated by ab initio methods. Diazoesters 3, 4a, and 4b show a n-n orbital interaction between art orbital of the aromatic ring and nc=N of the diazo moiety which causes a dependence of orbital energies on the C=C-C=N torsional angle. Diazoketones 1, 2a, and 2b do not exhibit 7r-n interaction as low-lying occupied molecular orbitals of the keto group function as an insulator.

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