Toward a more accurate silicon stereochemistry

An electron diffraction study of the molecular structure of tetramethylsilane

Anna Rita Campanelli, Fabio Ramondo, Aldo Domenicano, I. Hargittai

Research output: Contribution to journalArticle

26 Citations (Scopus)

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 - 2000

Fingerprint

Stereochemistry
stereochemistry
Bond length
Silicon
Molecular Structure
Electron diffraction
Molecular structure
torsion
molecular structure
electron diffraction
Electrons
symmetry
silicon
Torsional stress
Conformations
molecules
Molecules
tetramethylsilane

Keywords

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

ASJC Scopus subject areas

  • Chemistry(all)
  • Structural Biology

Cite this

Toward a more accurate silicon stereochemistry : An electron diffraction study of the molecular structure of tetramethylsilane. / Campanelli, Anna Rita; Ramondo, Fabio; Domenicano, Aldo; Hargittai, I.

In: Structural Chemistry, Vol. 11, No. 2-3, 2000, p. 155-160.

Research output: Contribution to journalArticle

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AB - 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.

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