Configura tional be haviors of ۱,۲-dihal osilaethene. A hybrid density functional theory study an d natural bond orbital interpretation

The m aximization of an interaction betw een the be st donor lon e pair and the best acc eptor bond plays an im portant role on the preferred geometry of m any molec ules.۱-۳ The most dominant config uration-controlling factor in carb ohydrate compounds is known as the anom eric effect ( AE).۴ Althou gh the imp ortance of t he hyperconjugative int eractions in some acyclic compound s has investigated, ther e is no publi shed experimental info rmation about the stereoelctronic interactions on the configu rational properties of ۱,۲-difluoro- (۱), ۱,۲-dic hloro-(۲), ۱,۲-dibromo (۳) and ۱,۲-diiodosilaethene (۴).

کلیدواژه ها:

Gener alized anom eric effect ، ab initio ، N BO ، ۱ ، ۲-diha losilaethene