The Conformational Preference of the Methyl Group in 1-Methyl-1-Silacyclohexane

Ingvar Arnason*, Agust Kvaran, Sigridur Jonsdottir, Palmar I. Gudnason, Heinz Oberhammer

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

1 Citation (Scopus)

Abstract

The conformational equilibrium of the title compound has been investigated experimentally in the gas phase by gas electron diffraction and in solution at low temperatures by 13C NMR, and theoretically by quantum chemical calculations. Both experimental methods result in a preference of the equatorial position of the methyl group, 68(7) % in the gas phase at 298 K and 74(1) % in solution at 110 K. The calculations predict 66 % equatorial conformer at room temperature.

Original languageEnglish
Title of host publicationOrganosilicon Chemistry Set
Subtitle of host publicationFrom Molecules to Materials
PublisherWiley Blackwell
Pages135-138
Number of pages4
ISBN (Electronic)9783527620777
ISBN (Print)9783527323470
DOIs
Publication statusPublished - 10 Jun 2008

Bibliographical note

Publisher Copyright:
© 2008 VCH Verlagsgesellschaft mbH. All rights reserved.

Other keywords

  • Conformational analyses
  • Electron diffraction
  • NMR
  • Silacyclohexane

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