The conformation dynamics of 1,2-dimethylenecyclohexane was examined by means of ab initio MO theory employing the STO-3G and 3-21G basis sets. The calculations show that the most economic mode of chair-chair interconversion begins with inversion of twist angles in the diene part of the chair-like minimum conformation and proceeds via pseudorotation and reinversion to the alternate chair. The results are discussed in relation to the ring A structure and mobility of vitamins D.

Conformation Dynamics of 1,2-Dimethylenecyclohexane: A Model for Ring-A Mobility in Vitamins D

CIMIRAGLIA, Renzo
1990

Abstract

The conformation dynamics of 1,2-dimethylenecyclohexane was examined by means of ab initio MO theory employing the STO-3G and 3-21G basis sets. The calculations show that the most economic mode of chair-chair interconversion begins with inversion of twist angles in the diene part of the chair-like minimum conformation and proceeds via pseudorotation and reinversion to the alternate chair. The results are discussed in relation to the ring A structure and mobility of vitamins D.
1990
H., Hofmann; Cimiraglia, Renzo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11392/1814711
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