Mercury 6(3P1) photosensitization of mono- and difluoroethylenes. Correlation of mechanism with calculated molecular orbital energy levels

O. Strausz, R. J. Norstrom, D. Salahub, R. K. Gosavi, H. E. Gunning, I. Csizmadia

Research output: Contribution to journalArticle

36 Citations (Scopus)

Abstract

The triplet mercury photosensitized decompositions of vinyl fluoride, 1, 1-difluoroethylene, and cis- and trans-1,2-difluoroethylene proceed by molecular elimination of HF via an excited molecule mechanism producing the corresponding acetylene. Cis ⇄ trans isomerization occurs on deactivation, but structural isomerization is absent. Extended Hückel MO calculations have been carried out for ethylene, the haloethylenes, the corresponding acetylenes, and the intermediate carbenes implicated in the decomposition of these olefins. An attempt to correlate the decomposition mechanism with state energy levels, as calculated by the LCAO-MO method, is described.

Original languageEnglish
Pages (from-to)6395-6402
Number of pages8
JournalJournal of the American Chemical Society
Volume92
Issue number22
Publication statusPublished - 1970

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Photosensitivity Disorders
Acetylene
Alkynes
Alkenes
Molecular orbitals
Mercury
Electron energy levels
Isomerization
Decomposition
Mercury (metal)
Olefins
Ethylene
Molecules
1,1-difluoroethylene
vinyl fluoride
carbene
ethylene
1,2-fluoroethene

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Mercury 6(3P1) photosensitization of mono- and difluoroethylenes. Correlation of mechanism with calculated molecular orbital energy levels. / Strausz, O.; Norstrom, R. J.; Salahub, D.; Gosavi, R. K.; Gunning, H. E.; Csizmadia, I.

In: Journal of the American Chemical Society, Vol. 92, No. 22, 1970, p. 6395-6402.

Research output: Contribution to journalArticle

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AU - Gunning, H. E.

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