Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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The Importance of One-Eletron Effects in Conformation and Protonation of Acetamides $^*$

  • Published : 1980.03.30
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Abstract

The CNDO/2 method was used to compute relative stabilities of various configurations and conformations of acetamide, N-methylacetamide and diacetamide and their protonated forms. It was found that: (a) nonbonded interactions play important roles in determining structural preferences of the compounds, (b)$n-{\sigma}^{\ast}$ "throughbond" interactions always favor cis-protonation (relative to C-N).

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