Structure of a five-membered ring containing a phosphinyl radical: ab initio predictions and single-crystal EPR study
|Published in||Chemical Physics Letters. 1991, vol. 182, no. 3-4, p. 242-248|
|Abstract||The geometry of the five-membered ring (1) containing a phosphinyl radical is studied by ab initio molecular orbital calculations. X-irradiation of a single crystal of 1,3-benzazaphosphole (2) generates the cyclic phosphinyl radical (3) whose EPR parameters are obtained and compared with those calculated for 1. Experimental and calculated results show that, in 3, the five-membered ring adopts a distorted "envelope" structure and that a rapid inversion motion occurs at room temperature.|
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|Research group||Groupe Geoffroy|
|GEOFFROY, Michel, TERRON, Gustavo, BERNARDINELLI, Gérald Hugues. Structure of a five-membered ring containing a phosphinyl radical: ab initio predictions and single-crystal EPR study. In: Chemical Physics Letters, 1991, vol. 182, n° 3-4, p. 242-248. https://archive-ouverte.unige.ch/unige:3037|