Minimal and split-valence shell basis set calculations, both with and without d orbitais, predict the radical centre to be pyramidal, with the planar radical only 0.3 kcal mol-1 higher. The barrier to internal rotation is 2 kcal mol-1. There is no evidence of bridging from chlorine.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry