The Potential Energy Surface for the [ C 2 H 20 ] " System : The Ketene Radical Cation [ CH , = C = O ] " and its Isomers
نویسنده
چکیده
Ab inido molecular orbital ealenlations with large, polarizetion basis sets and incorporating valence electron correlation have been employed to examine the [GHzO]+' potential energy snrface. Four [WzO1+' isomers have been identified as potentially stable, observable ions. T h e are the experimentdly well-known ketene radical cation, [CH4=0 ]+ ' (a), and tbe presently unlmown ethynol radical cation, [CH=C-O€EI+' (b),
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