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Is the hypervalent radical SiH5 a stable species? An ab initio study

✍ Scribed by F. volatron; P. Maître; M. Pélissier

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
379 KB
Volume
166
Category
Article
ISSN
0009-2614

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✦ Synopsis

Ab initio calculations have been performed at various levels on the SiHS hypervalent radical in Ds, and C& symmetry. Optimization at UHF and UMP2 are presented for these structures and show that both of them are neither stable nor metastable species. The calculation of a potential energy surface at the CASSCF level confirms the transition state nature of the radical in its D3k geometry.

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