Electronic Structure of Bridged Dialuminum Compounds

J. M. Howell, E. Singman, A. M. Sapse, G. Snyder

Research output: Contribution to journalArticle

Abstract

Geometry-optimized 3-21G ab initio calculations were performed on the [R3Al⋯H⋯A1R3]ion with R = H or R = CH3. The lowest energy was obtained with a linear Al⋯H⋯Al structure. Small rotational barriers and bending energies are also reported. In addition, the structure of [H3Al⋯Cl⋯AlH3]was calculated for comparison and found to be bent.

Original languageEnglish (US)
Pages (from-to)4758-4759
Number of pages2
JournalJournal of the American Chemical Society
Volume104
Issue number18
DOIs
StatePublished - Jan 1 1982
Externally publishedYes

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ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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