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

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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 withC s 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‡.

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Authors and Affiliations

  1. Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eötvös University, Budapest, Hungary

    Erzsebet Vajda & István Hargittai

  2. N. D. Zelinsky Institute of Organic Chemistry, Academy of Sciences of the Russian Federation, Moscow, Russia

    Oleg M. Nefedov

  3. Institute of General and Analytical Chemistry, Technical University of Budapest, Szt. Gellért tér 4, H-152I, Budapest, Hungary

    István Hargittai

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  1. Erzsebet Vajda
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  2. Oleg M. Nefedov
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Vajda, E., Nefedov, O.M. & Hargittai, I. Molecular structure of 1,1-dimethylsilacyclopentene-3,4-oxide from gas-phase electron diffraction. Struct Chem 6, 9–14 (1995). https://doi.org/10.1007/BF02263523

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