Molecular structure of 1,1-dimethylsilacyclopentene-3,4-oxide from gas-phase electron diffraction |
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| Authors: | Erzsebet Vajda Oleg M Nefedov István Hargittai |
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| Institution: | (1) Structural Chemistry Research Group of the Hungarian Academy of Sciences, Eötvös University, Budapest, Hungary;(2) N. D. Zelinsky Institute of Organic Chemistry, Academy of Sciences of the Russian Federation, Moscow, Russia;(3) Institute of General and Analytical Chemistry, Technical University of Budapest, Szt. Gellért tér 4, H-152I Budapest, Hungary |
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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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| Keywords: | Gas-phase electron diffraction molecular geometry conformation |
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