A theoretical study of the sulphonium cation SH+3 |
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| Authors: | S.P. So |
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| Affiliation: | Department of Chemistry, Chung Chi College, The Chinese University of Hong Kong, Shatin, Hong Kong |
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| Abstract: | ![]()
Ab initio Hartree—Fock calculations with STO-3G functions have been performed to determine the structure (1.371 Å and 95.33°) of SH+3 and the proton affinity (≈196 kcal/mol) of H2S. Inclusion of a sulphur 3d function in the basis has been found essential to give a better geometry of SH+3. |
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