Conformational analysis of the 2,2-dimethylbutyl radical by EPR spectroscopy

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DOIResolve DOI: http://doi.org/10.1021/j100267a006
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TypeArticle
Journal titleThe Journal of Physical Chemistry
ISSN0022-3654
Volume89
Issue21
Pages44244426; # of pages: 3
AbstractThe electron paramagnetic resonance (EPR) spectra of CH3CH2C(CH3)2CH2· and CH3CH2C(CD3)2CH2· indicate that at 95 K these radicals exist in a rigid conformation with respect to rotation about the three Cβ-Cγ bonds and that the δ-methyl group (of the ethyl moiety) is gauche to one methyl and to the CH2· group. Analysis of the γ-H hyperfine splittings indicates that in the preferred conformation about the Cα-Cβ bond the SOMO eclipses one of the γ-methyl groups, not the γ-ethyl group. The internal rotation barriers of the CD3 and ethyl groups were estimated to be ca. 4 and 6 kcal/mol from the exchange broadening in the EPR spectra at higher temperatures. © 1985 American Chemical Society.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21276623
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Record identifier2197dc8b-1d23-4163-9b68-03b2260ea16e
Record created2015-10-13
Record modified2017-03-23
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