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Issue 10, 1982
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Silyl halide radical anions


Ab initio molecular orbital theory using diffuse-augmented basis sets and a second-order Møller–Plesset correction for electron correlation has been used to investigate the SiH3F˙ and SiH3Cl˙ radical anions. SiH3F˙ is calculated not to be bound with respect to loss of an electron, whereas SiH3Cl˙ is suggested to be bound at its minimum energy geometry, a Cs structure derived from a trigonal bipyramid, but not with respect to optimised SiH3Cl. The thermodynamics and bonding in SiH3Cl˙ are discussed and the performance of this level of theory for radical anions is assessed.

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Article information

J. Chem. Soc., Perkin Trans. 2, 1982, 1267-1271
Article type

Silyl halide radical anions

T. Clark, J. Chem. Soc., Perkin Trans. 2, 1982, 1267
DOI: 10.1039/P29820001267

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