Toward a more accurate silicon stereochemistry: An electron diffraction study of the molecular structure of tetramethylsilane

被引:31
作者
Campanelli, AR
Ramondo, F
Domenicano, A [2 ]
Hargittai, I
机构
[1] Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy
[2] Univ Aquila, Dept Chem Chem Engn & Mat, Dept Chem, I-67100 Laquila, Italy
[3] Eotvos Lorand Univ, Hungarian Acad Sci, Struct Chem Res Grp, Budapest, Hungary
[4] Tech Univ Budapest, Inst Gen & Analyt Chem, Budapest, Hungary
关键词
tetramethylsilane; gas-phase electron diffraction; ab initio MO calculations; Si-Me bond length; methyl torsional barrier;
D O I
10.1023/A:1009213726034
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The present electron diffraction study of the molecular structure of tetramethylsilane, augmented with theoretical calculations, answers the need for accurate and detailed information on the most fundamental molecules containing silicon. The Si-C bond length is r(g) = 1.877 +/- 0.004 Angstrom, in perfect agreement with a previous study (Beagley, B.; Monaghan, J. J.; Hewitt, T. G. J. Mol. Struct. 1971, 8, 401). The C-H bond length is r(g) = 1.110 +/- 0.003 Angstrom and the Si-C-H angle is 111.0 +/-0.2 degrees. The experimental data are consistent with a model of Td symmetry and staggered methyl conformation. The barrier to methyl rotation is estimated to be 5.7 +/- 2.0 kJ mol(-1) on the basis of the experimentally observed average torsion of the methyl groups.
引用
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页码:155 / 160
页数:6
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