ESR STUDY OF THE TRICYCLOHEXYLMETHYL RADICAL

Citation
S. Luff et al., ESR STUDY OF THE TRICYCLOHEXYLMETHYL RADICAL, Magnetic resonance in chemistry, 33(4), 1995, pp. 312-317
Citations number
29
Categorie Soggetti
Spectroscopy,Chemistry
ISSN journal
07491581
Volume
33
Issue
4
Year of publication
1995
Pages
312 - 317
Database
ISI
SICI code
0749-1581(1995)33:4<312:ESOTTR>2.0.ZU;2-T
Abstract
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 prot ons, twelve gamma protons and six delta protons were resolved, The alp ha and the three beta carbon atoms are coplanar, The temperature depen dence of the beta and six of the gamma proton hyperfine interactions w as ascribed to torsional motions of the cyclohexyl rings about the C-a lpha-C-beta bond, The radical has C-3h symmetry, the C-alpha and C-bet a atoms being coplanar. Evidence for the existence of hexacyclohexylet hane at about 200 K was obtained for the first time.