The electronic structure of nitrilimine: absence of the carbenic form |
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| Authors: | Cargnoni Fausto Molteni Giorgio Cooper David L Raimondi Mario Ponti Alessandro |
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| Affiliation: | Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, via Golgi 19, Milano, Italy. |
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| Abstract: | The electronic structure of nitrilimine HCNNH is shown to essentially be propargylic by CASSCF and Spin-Coupled (modern VB) calculations; in contrast to a recent claim, the carbenic resonance form is absent. |
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