The Nature of Bonding in PtC and PtN

(整期优先)网络出版时间:2001-06-16
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ThenatureofbondinginthetitlecompoundshasbeenstudiedbyusingCASSCFandFOCItechniques.ThegroundstatesofPtCandPtNarefoundtobe1Σ+and2Πstatearisingprimarilyfrom:…1σ22σ21π41δ43σ2and…1σ22σ21π41δ43σ22π1configurationrespectivelyandbothofwhichformtriplebond(ones,twoπbonds),butthebondofPtCismuchstrongerthanthatofPtN.