The puckering coordinate in oxetane

Mallinson, P. D. and Mills, I. (1975) The puckering coordinate in oxetane. Molecular Physics, 30 (1). pp. 209-216. ISSN 1362-3028 doi: 10.1080/00268977500101891

Abstract/Summary

The recently determined apucker(xz) = ∂Ixz/∂Qpucker constants for five isotopic species of oxetane have been interpreted quantitatively by allowing the ring-puckering normal coordinate to contain a small amount of methylene rocking and twisting motion. The observed data are most closely reproduced by assuming a methylene rock angle of about 3° and a twist angle for the -methylene groups of about 1° at the equilibrium conformation of the ring.