Structures and stabilities of heteroatom-substituted disilenes and related compounds: Four-center π systems

Masae Takahashi, Kenkichi Sakamoto

Research output: Contribution to journalArticlepeer-review

15 Citations (Scopus)

Abstract

The geometries of (H2X)HE=EH(XH2), (H2X)HE=EH(XH2)2+, and HX=EHHE=XH (E = Si, C; X = Al, B, P, N) have been studied using ab initio molecular orbital calculations. Relative stabilities of the stereoisomers of the four-center π systems were explained by the orbital-phase continuity of the terminal atoms. Isodesmic reaction energies show that π conjugation is effective for stabilization of compounds with AlH2 and BH2 substituents on the unsaturated silicon, and therefore, aluminum- and boron-substituted disilenes can be potential synthetic targets.

Original languageEnglish
Pages (from-to)4212-4216
Number of pages5
JournalOrganometallics
Volume21
Issue number20
DOIs
Publication statusPublished - 2002 Sep 30
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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