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

Vladimir Ya. Lee | Zendy; Satoru Horiguchi | Zendy; Akira Sekiguchi | Zendy; Olga A. Gapurenko | Zendy; T. N. Gribanova | Zendy; Владимир И. Минкин | Zendy; Heinz Gornitzka | Zendy

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

Author(s) -

Vladimir Ya. Lee,

Satoru Horiguchi,

Akira Sekiguchi,

Olga A. Gapurenko,

T. N. Gribanova,

Владимир И. Минкин,

Heinz Gornitzka

Publication year - 2019

Publication title -

acs omega

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.779

H-Index - 40

ISSN - 2470-1343

DOI - 10.1021/acsomega.8b03429

Subject(s) - silylene , silylation , ring (chemistry) , nucleophile , density functional theory , homo/lumo , chemistry , medicinal chemistry , computational chemistry , silicon , catalysis , molecule , organic chemistry

Novel unsaturated four-membered ring disilene, 3,3-dichloro-1,2,4,4-tetrakis[di- tert -butyl(methyl)silyl]- 1 Δ-1,2,3,4-trisilagermetene, was synthesized by the ring expansion reaction of the three-membered ring 1-disilagermirene with the silylene-NHC complex Cl 2 Si-IPr. The mechanism of the unexpected formation of this compound was verified by high-level density functional theory computations, which revealed n Si:(HOMO) -π Si=Si(LUMO) * as the dominant orbital interaction.

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