Ab initio study on the resonance effect in the hydrogen- and halogen-bonded complexes of hypohalous acids with formamide and its derivatives
作者： Tao Liu , Wan-Dong Chen , Ling-Li Han , Zhang-Yu Yu , Wen-Zuo Li
DOI: 10.1016/J.COMPTC.2011.07.003
关键词:
摘要: Abstract Ab initio calculations have been performed to study the hydrogen bonded and halogen complexes formed between hypohalous acids with formamide its derivatives. The two-way effects exist in all complexes. calculational results show that are more favored than bond nature of atom R has relatively little impact on strength bond, whereas it a prominent influence bonds.
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