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Author Radziszewski, J. G. ♦ Nimlos, M. R. ♦ Winter, P. R. ♦ Ellison, G. B.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CHEMISTRY ♦ PHYSICS ♦ MATHEMATICS, COMPUTERS, INFORMATION SCIENCE, MANAGEMENT, LAW, MISCELLANEOUS ♦ PHENYL RADICALS ♦ INFRARED SPECTRA ♦ ABSORPTION SPECTRA ♦ CALCULATION METHODS ♦ ELECTRONIC STRUCTURE
Abstract In this paper we report the infrared absorption spectrum of the phenyl radical in an argon matrix at 12 K and propose assignments for the frequencies and intensities for all of the 24 IR active modes. Our assignments are supported by ab initio electronic structure calculations. The results in this communication show that the phenyl radical can be cleanly and quantitatively prepared in a cryogenic matrix for spectroscopic studies. A close comparison is made between experimental C{sub 6}H{sub 5} frequencies [BC@v] and intensities [BC@A] and modern electronic structure calculations of the phenyl radical, which shows that the calculations can be quite accurate. 20 refs., 1 fig., 1 tab.
ISSN 00027863
Educational Use Research
Learning Resource Type Article
Publisher Date 1996-08-07
Publisher Place United States
Journal Journal of the American Chemical Society
Volume Number 118
Issue Number 31


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