Molecular structure and intramolecular motion of hexamethyldisiloxane from gas-phase electron diffraction

Konstantin B. Borisenko, Béla Rozsondai, I. Hargittai

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The molecular structure of hexamethyldisiloxane has been reinvestigated by electron diffraction. The two kinds of large amplitude motion in the molecule, the Si-O-Si bending and the torsion about the Si-O bonds, were treated independently in terms of their potential functions. In the equilibrium structure the molecule has probably C(2v), symmetry with staggered C3Si-O-Si fragments and a nonlinear Si-O-Si linkage with an angle of 155°. The barrier to linearization was obtained to be at least 10 kJ mol-1. In addition, there is free or nearly free internal rotation of the trimethylsilyl groups in hexamethyldisiloxane. In terms of r(g) bond lengths the electron diffraction analysis yielded Si-O 1.639 ± 0.003 Å, Si-C 1.871 ± 0.004 Å, and the r(a) angle Si-O-Si 152 ± 2°.

Original languageEnglish
Pages (from-to)137-144
Number of pages8
JournalJournal of Molecular Structure
Volume406
Issue number1-2
DOIs
Publication statusPublished - Apr 14 1997

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Molecular Structure
Electron diffraction
Molecular structure
molecular structure
electron diffraction
Gases
Electrons
vapor phases
Molecules
Bond length
linearization
Linearization
linkages
Torsional stress
torsion
molecules
fragments
symmetry
hexamethyldisiloxane

Keywords

  • Electron diffraction
  • Hexamethyldisiloxane
  • Large amplitude motion

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Molecular structure and intramolecular motion of hexamethyldisiloxane from gas-phase electron diffraction. / Borisenko, Konstantin B.; Rozsondai, Béla; Hargittai, I.

In: Journal of Molecular Structure, Vol. 406, No. 1-2, 14.04.1997, p. 137-144.

Research output: Contribution to journalArticle

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abstract = "The molecular structure of hexamethyldisiloxane has been reinvestigated by electron diffraction. The two kinds of large amplitude motion in the molecule, the Si-O-Si bending and the torsion about the Si-O bonds, were treated independently in terms of their potential functions. In the equilibrium structure the molecule has probably C(2v), symmetry with staggered C3Si-O-Si fragments and a nonlinear Si-O-Si linkage with an angle of 155°. The barrier to linearization was obtained to be at least 10 kJ mol-1. In addition, there is free or nearly free internal rotation of the trimethylsilyl groups in hexamethyldisiloxane. In terms of r(g) bond lengths the electron diffraction analysis yielded Si-O 1.639 ± 0.003 {\AA}, Si-C 1.871 ± 0.004 {\AA}, and the r(a) angle Si-O-Si 152 ± 2°.",
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N2 - The molecular structure of hexamethyldisiloxane has been reinvestigated by electron diffraction. The two kinds of large amplitude motion in the molecule, the Si-O-Si bending and the torsion about the Si-O bonds, were treated independently in terms of their potential functions. In the equilibrium structure the molecule has probably C(2v), symmetry with staggered C3Si-O-Si fragments and a nonlinear Si-O-Si linkage with an angle of 155°. The barrier to linearization was obtained to be at least 10 kJ mol-1. In addition, there is free or nearly free internal rotation of the trimethylsilyl groups in hexamethyldisiloxane. In terms of r(g) bond lengths the electron diffraction analysis yielded Si-O 1.639 ± 0.003 Å, Si-C 1.871 ± 0.004 Å, and the r(a) angle Si-O-Si 152 ± 2°.

AB - The molecular structure of hexamethyldisiloxane has been reinvestigated by electron diffraction. The two kinds of large amplitude motion in the molecule, the Si-O-Si bending and the torsion about the Si-O bonds, were treated independently in terms of their potential functions. In the equilibrium structure the molecule has probably C(2v), symmetry with staggered C3Si-O-Si fragments and a nonlinear Si-O-Si linkage with an angle of 155°. The barrier to linearization was obtained to be at least 10 kJ mol-1. In addition, there is free or nearly free internal rotation of the trimethylsilyl groups in hexamethyldisiloxane. In terms of r(g) bond lengths the electron diffraction analysis yielded Si-O 1.639 ± 0.003 Å, Si-C 1.871 ± 0.004 Å, and the r(a) angle Si-O-Si 152 ± 2°.

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