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

ABSTRACT: Novel unsaturated four-membered ring disilene, 3,3-dichloro-1,2,4,4-tetrakis[di-tert-butyl(methyl)silyl]-¹?-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 n_Si:(HOMO)-?_Si=Si(LUMO) ^* as the dominant orbital interaction.

SUBMITTER: Lee VY

PROVIDER: S-EPMC6648269 | biostudies-literature | 2019 Feb

REPOSITORIES: biostudies-literature

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

Lee Vladimir Ya VY Horiguchi Satoru S Sekiguchi Akira A Gapurenko Olga A OA Gribanova Tatyana N TN Minkin Vladimir I VI Gornitzka Heinz H

ACS omega 20190208 2

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 t ...[more]

PMID: 31459520

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