Applications of ENDOR spectroscopy to radicals of low symmetry: Radical anions of 2-phenylcycl[3.2.2]azines

• Published in: Journal of magnetic resonance (1969) Vol. 18; no. 3; pp. 471 - 484
• Main Authors: Gerson, F, Jachimowicz, J, Moebius, K, Biehl, R, Hyde, J.S, Leniart, D.S
• Format: Journal Article
• Language: English
• Published: Elsevier Inc 01.01.1975
• ISSN: 0022-2364; 1557-8968
• DOI: 10.1016/0022-2364(75)90103-1

The radical anions of 2-phenylcycl[3.2.2]azine and 6-methyl-2-phenyl-5-azacycl-[3.2.2]azine were prepared by reaction with Na and with Li. Proton hyperfine couplings have been determined using electron-nuclear double resonance (ENDOR) spectroscopy. Assignments of couplings have been made by a combination of four methods: radio frequency coherence effects, calculations of relative ENDOR intensities, computer simulation of the ESR spectra, and MO calculations of π-spin distribution. Successful use of the two first methods has experimentally corroborated the theory of ENDOR line-shapes in the presence of both saturating and non-saturating nuclear radio frequency fields.