allotropic form of elemental silicon. Similarly, the analogous Ge(II)→Ba complex 9, upon decomposition, forms tetragonal germanium, a dense and rare allotrope of elemental germanium. The energetics of this unprecedented alkaline-earth-metal-induced liberation of elemental silicon and germanium was additionally studied by DFT methods, revealing that the transformations are pronouncedly exergonic and considerably
合成和前所未有的N-杂环亚甲
硅基和
锗烯(“metallylene”)的反应性显着的碱土
金属(AE)的类型的配合物[(η 5 -C 5我5)2阂←:E(N吨布赫)2 ](3,4,和7 - 9 ; AE =
钙,E =葛3 ; AE = SR,E =葛4 ; AE = SR,E =
硅7 ; AE = BA,E =
硅8 ; AE = BA,E = Ge 9)的报告。所有配合物均已通过光谱学手段进行了表征,并通过密度泛函理论(DFT)方法研究了它们的键合情况。实例的单晶X射线衍射分析表明,Si-AE和Ge-AE的距离相对较长,分别表示E:→AE(E = Si,Ge)弱键,并由计算得出的Wiberg键指数进一步证明在所有情况下均较低(〜0.5)。出乎意料的是,复合物经历容易的变换的类型[(η1,4- diazabuta -1,3-二烯阂
金属络合物5 -C 5我5)2 AE(κ 2 - N吨Bu═CHCH═N吨Bu})](AE