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Year 2005, Month 1 (Section Full Articles, Page 99)

Gas electron diffraction study of the geometric structure of triallylborane molecule

Yu. V. Vishnevskii,* L. V. Vilkov, A. N. Rykov, N. M. Karasev, Yu. N. Bubnov and M. E. Gurskii

The main structural parameters of the triallylborane molecule having the C3 symmetry were determined by gas electron diffraction and quantum-chemical calculations at the MP2/6-31G(d,p) and B3LYP/6-31G(d,p) levels. The parameters calculated by the MP2/6-31G(d,p) method are in better agreement with the experimental data than those calculated by the B3LYP/6-31G(d,p) method.

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