Citation: Xiao Guang XIE, Xue Mei GAO, Shi Xi LUI, Huai CAO, Shu Shan DAI. The Nature of Bonding in PtC and PtN[J]. Chinese Chemical Letters, ;2001, 12(6): 541-544.
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The nature of bonding in the title compounds has been studied by using CASSCF and FOCI techniques. The ground states of PtC and PtN are found to be 1Σ+ and 2Π state arising primarily from:…1σ22σ21π41δ43σ2 and …1σ22σ21π41δ43σ22π1 configuration respectively and both of which form triple bond (one σ, two πbonds), but the bond of PtC is much stronger than that of PtN.
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Keywords:
- PtC and PtN,
- nature of bonding,
- molecular constants,
- CASSCF,
- FOCI.
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