The Nature of Bonding in WC and WN
摘要
The nature of bonding in the title compounds has been studied by using CASSCF and FOCl techniques. The ground states of WC and WN are found to be 3Δ and 4∑- state arising primarily from:...1σ2σ21π41δ13σ1 and ...1σ2σ21π41δ23σ1 configuration respectively. WC shows a strong character of covalent bond while WN have obvious character of ionic bond and the dissociation energy of WN is larger than that of WC (6.15 and 5.41 eV respective).
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Xue, Mei Mei, Gao. The Nature of Bonding in WC and WN[J]. 中国化学快报：英文版, 2001.
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