ao8b03429_si_003.cif (400.5 kB)

Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene–NHC Complex Cl2Si–IPr

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posted on 08.02.2019, 16:36 by Vladimir Ya. Lee, Satoru Horiguchi, Akira Sekiguchi, Olga A. Gapurenko, Tatyana N. Gribanova, Vladimir I. Minkin, Heinz Gornitzka
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.

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