On the structures and relative energies
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Willem J. Bouma; Brian F. Yates; Leo Radom
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Article
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1982
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Elsevier Science
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English
β 345 KB
Ab initio calculations have identified two isomers in the CH3F -+ potential energy surface, one corresponding to ionized fluoromethane (CH3F +. ) and the other to the methylenefluoronium radical cation (CH2FH-+). The latter is predicted to lie lower in energy by 46 kJ mol-1. Examination of rearrange