Toward a more accurate silicon stereochemistry: An electron diffraction study of the molecular structure of tetramethylsilane

Anna Rita Campanelli, Fabio Ramondo, Aldo Domenicano, István Hargittai

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Abstract

The present electron diffraction study of the molecular structure of tetramethylsilane, augmented with theoretical calculations, answers the need for accurate and detailed information on the most fundamental molecules containing silicon. The Si - C bond length is r(g) = 1.877 ± 0.004 Å, in perfect agreement with a previous study (Beagley, B.; Monaghan, J. J.; Hewitt, T. G. J. Mol. Struct. 1971, 8, 401). The C - H bond length is r(g) = 1.110 ± 0.003 Å and the Si - C - H angle is 111.0 ± 0.2°. The experimental data are consistent with a model of T(d) symmetry and staggered methyl conformation. The barrier to methyl rotation is estimated to be 5.7 ± 2.0 kJ mol-1 on the basis of the experimentally observed average torsion of the methyl groups.

Original languageEnglish
Pages (from-to)155-160
Number of pages6
JournalStructural Chemistry
Volume11
Issue number2-3
Publication statusPublished - Oct 14 2000

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Keywords

  • Gas-phase electron diffraction
  • Methyl torsional barrier
  • Si - Me bond length
  • Tetramethylsilane
  • ab initio MO calculations

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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