Electronic structure of bridged dialuminum compounds

J. M. Howell, Eric L Singman, E. Singman, G. Snyder

Research output: Contribution to journalArticle

Abstract

Geometry-optimized 3-21G ab initio calculations were performed on the [R3Al⋯H⋯AlR3]- 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
StatePublished - 1982
Externally publishedYes

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Bridged-Ring Compounds
Electronic structure
Ions
Geometry

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Howell, J. M., Singman, E. L., Singman, E., & Snyder, G. (1982). Electronic structure of bridged dialuminum compounds. Journal of the American Chemical Society, 104(18), 4758-4759.

Electronic structure of bridged dialuminum compounds. / Howell, J. M.; Singman, Eric L; Singman, E.; Snyder, G.

In: Journal of the American Chemical Society, Vol. 104, No. 18, 1982, p. 4758-4759.

Research output: Contribution to journalArticle

Howell, JM, Singman, EL, Singman, E & Snyder, G 1982, 'Electronic structure of bridged dialuminum compounds', Journal of the American Chemical Society, vol. 104, no. 18, pp. 4758-4759.
Howell, J. M. ; Singman, Eric L ; Singman, E. ; Snyder, G. / Electronic structure of bridged dialuminum compounds. In: Journal of the American Chemical Society. 1982 ; Vol. 104, No. 18. pp. 4758-4759.
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