On the ionic states of vinylidene and acetylene
作者： P. Rosmus , P. Botchwina , J.P. Maier
DOI: 10.1016/0009-2614(81)85372-9
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摘要: Abstract Electronic states of C 2 H + cation (with acetylenic and vinylidenic structure) are investigated by ab initio SCF PNO CEPA calculations. The lowest excited state the acetylene is calculated to be 4 A in a strongly bent cis conformation, qualitative explanation given for lack detectable emission from theA ∑ g state. Only radical anion with structure bound.
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