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An EPR and theoretical investigation of Azoalkane and Azobenzene radical cations
University of London.
University of London.
Linköping University.
1993 (English)In: Journal of the Chemical Society. Perkin Transactions 2 (2001), ISSN 1472-779X, E-ISSN 1364-5471, Vol. 2, no 11, p. 2135-2139Article in journal (Refereed) Published
Abstract [en]

Results for azoethane, 1,1'-azopropane, 2,2'-azopropane, 1,1'-azoadamantane, 2,3-diazabicyclo-[2,2,2]oct-2-ene (DBO), 1,4-dimethyl-2,3-diazabicyclo[2.2.2]oct-2-ene (Me2DBO) and cis and trans-azobenzene radical cations are presented, as formed in solid freon matrices at low temperatures. The azoalkane radical cations are all formed in sigma-states, corresponding to ionisation of the a(g) orbital (out-of-phase lone-pair combination), while for the trans-azobenzene radical cation the assignment to the pi-state cannot be definitely excluded, although experimental evidence would appear to suggest the sigma-state: the cis-azobenzene radical cation isomerises to the trans-isomer. Semi-empirical calculations were also performed on selected examples of the above species, the conclusions from which are discussed. KeyWords Plus: ELECTRON-SPIN-RESONANCE; FREON MATRICES; 2,3-DIAZABICYCLO<2.2.2>OCT-2-ENE; 1,1'-AZONORBORNANE; SPECTROSCOPY; ESR

Place, publisher, year, edition, pages
1993. Vol. 2, no 11, p. 2135-2139
National Category
Physical Chemistry
Research subject
Chemistry of Interfaces
Identifiers
URN: urn:nbn:se:ltu:diva-7417Local ID: 5cbb59b0-6757-11dc-a0c3-000ea68e967bOAI: oai:DiVA.org:ltu-7417DiVA: diva2:980306
Note
Upprättat; 1993; 20070920 (bajo)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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