Molecular structure of 1,1-dimethylsilacyclopentene-3,4-oxide from gas-phase electron diffraction

Erzsebet Vajda, Oleg M. Nefedov, István Hargittai

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Abstract

The molecular structure of 1,1-dimethylsilacyclopentene-3,4-oxide has been determined by electron diffraction in the gas phase. The experimental data are consistent with Cs molecular symmetry and boat conformation with a flattened end at the silicon atom. The flap angles characterizing the orientation of C-Si-C and C-O-C planes with respect to the four coplanar carbon atoms of the ring are 16.6 ± 0.6‡ and 73.3 ± 0.6‡, respectively. Bond lengths (rg) are Si-C6, 1.866 ±0.008; Si-C2, 1.899 ± 0.008; C2-C3, 1.513 ± 0.005; C3-C4 (bridge), 1.477 ± 0.013; C-O, 1.443 ± 0.007; (C-H)mean 1.116 ± 0.003 å. Bond angles are <C5-Si-C2, 96.2 ± 0.4; <Si-C2-C3, 103.9 ± 0.3; <C2-C3-C4, 116.5 ± 0.3; <C3-C4-O, 59.2 ± 0.5; zC4-C3-H9, 109.0 ± 3.5; <C2-C3-H9, 132.9 ± 3.1; <C6-Si-C12, 114.6 ± 0.8; <Si-C6-H15, 109.7 ± 0.9‡.

Original languageEnglish
Pages (from-to)9-14
Number of pages6
JournalStructural Chemistry
Volume6
Issue number1
DOIs
Publication statusPublished - Feb 1 1995

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Keywords

  • Gas-phase electron diffraction
  • conformation
  • molecular geometry

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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