ISSN:
0749-1581
Keywords:
tricyclohexylmethyl radical
;
ESR spectra
;
MNDO/UHF calculations
;
NMR spectra
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The ESR spectrum of the tricyclohexylmethyl radical was obtained from tricyclohexylmethyl chloride and was studied in solution in the range 275-455 K. It has a half-life of about 30 min at room temperature. The complex hyperfine structure of the radical was analysed with the help of MNDO/UHF calculations. Hyperfine interactions with three beta protons, twelve gamma protons and six delta protons were resolved. The alpha and the three beta carbon atoms are coplanar. The temperature dependence of the beta and six of the gamma proton hyperfine interactions was ascribed to torsional motions of the cyclohexyl rings about the Cα—Cβ bond. The radical has C3h symmetry, the Cα and Cβ atoms being coplanar. Evidence for the existence of hexacyclohexylethane at about 200 K was obtained for the first time.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260330415
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