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Article Dans Une Revue New Journal of Chemistry Année : 2012

A valence bond view of isocyanides' electronic structure

Résumé

High level Valence Bond calculations support a predominantly carbenic electronic structure for isocyanides, with a secondary zwitterionic character, despite their linear geometry. This geometry results from the significant energetic stabilization due to nitrogen π lone pair donation. Results are not changed by substitution or solvation effects.
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Dates et versions

hal-01116250 , version 1 (12-02-2015)

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Citer

Romain Ramozzi, Nicolas Chéron, Benoît Braïda, Philippe C. Hiberty, Paul Fleurat-Lessard. A valence bond view of isocyanides' electronic structure. New Journal of Chemistry, 2012, 36 (5), pp.1137-1140. ⟨10.1039/C2NJ40050B⟩. ⟨hal-01116250⟩
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