Theoretical prediction on the novel multiple bonding related to group 14 elements

• 作 者: JingXu[1]Yi-HongDing[1]DiegoM.Andrada[2]GernotFrenking[2]
• 机 构: State Key Laboratory of Theoretical Computational Chemistry,Institute of Theoretical Chemistry,Jilin
• 出 处: 第十二届全国量子化学会议
• 发表日期: 2014年期

　　The stabilization of low-valent main-group species which may not become isolated as free moieties by complexation with N-heterocyclic carbenes(NHCs)has been an area of intensive research in recent years.[i] Recently,the experimental work suggest that highly reactive molecules which are difficult to isolate under normal laboratory conditions may become stabilized by complexation with NHC.[ii] We were interested to learn if this concept can be extended to acetylene analogues RE≡CR(E=Si,Ge,Sn,Pb)which have been the target of numerous experimental studies,most of them being unsuccessful.This prompted us to calculate the structures and stabilities of NHCtBu stabilized NHCtBu→(RE≡CR)where NHCtBu donor moiety carries t-butyl groups at the nitrogen atoms.The results opened the door to an unexpected territory,i.e.NHCtBu stabilized NHCtBu→C=ER2.