Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene－NHC Complex Cl2Si－IPr
Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene－NHC Complex Cl2Si－IPr
复制标题
二氯亚甲硅基的亲核性调节：二氯亚甲硅基－NHC配合物Cl2Si－IPr的亲核行为
DOI：
10.1021/acsomega.8b03429
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发表时间：
2019
期刊：
影响因子：
4.1
通讯作者：
H. Gornitzka
中科院分区：
文献类型：
--
作者：
V. Ya. Lee,* S. Horiguchi;A. Sekiguchi;O. A. Gapurenko;T. N. Gribanova;V. I. Minkin;H. Gornitzka
通过三元环1-二硅杂环烯与硅烯-NHC络合物Cl2Si-IPR的扩环反应，合成了新型不饱和四元环二硅烯-3，3-dichloro-1，2，4，4-tetrakis[di-tert-butyl(methyl)silyl]-1Δ-1，2，3，4-trisilagermetene，。通过高能级密度泛函理论计算验证了该化合物意外形成的机理，发现nSi：(HOMO)-πSi═Si(LUMO)*是主要的轨道相互作用。
Novel unsaturated four-membered ring disilene, 3,3-dichloro-1,2,4,4-tetrakis[di-tert-butyl(methyl)silyl]-1Δ-1,2,3,4-trisilagermetene, was synthesized by the ring expansion reaction of the three-membered ring 1-disilagermirene with the silylene–NHC complex Cl2Si–IPr. The mechanism of the unexpected formation of this compound was verified by high-level density functional theory computations, which revealed nSi:(HOMO)–πSi═Si(LUMO)*as the dominant orbital interaction.