1,2-Addition reaction of monosubstituted disilenes: An Ab initio study

Masae Takahashi, Tamás Veszprémi, Mitsuo Kira

研究成果: Article査読

19 被引用数 (Scopus)

抄録

Mechanisms of 1,2-addition reactions of the monosubstituted disilenes H2Si=SiHMe, H2Si=SiHF, H2Si=SiH(C=CH), and H2Si=SiH(NH2) were investigated in detail by the ab initio MO method. All reactions start from the electrophilic and nucleophilic initial complexes CE and CN. Four initial complexes and, therefore, four reaction channels were found for the reactions of methyldisilene with water and of ethynyldisilene with water. Only two complexes were found, however, in the reactions of fluorodisilene and aminodisilene with water/hydrogen fluoride. The reaction of the polar substrate aminodisilene shows reaction profiles similar to that of the polar substrate silene. In addition, product switching of the stereochemistry, depending on the acidity of the reagent, was found for the reaction of aminodisilene.

本文言語English
ページ(範囲)5768-5778
ページ数11
ジャーナルOrganometallics
23
24
DOI
出版ステータスPublished - 2004 11 22

ASJC Scopus subject areas

  • 物理化学および理論化学
  • 有機化学
  • 無機化学

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