Conformational analysis of 5,5-bis(halomethyl)-1,3-dioxanes

Resumo

Investigation of stationary points on the potential energy surface of a number of 5,5-bis(halomethyl)-1,3-dioxanes using DFT-approximation of PBE/3ζ revealed the only path of chair form interconversion proceeding through an intermediate minimum corresponding to a 2,5-twist-conformer.