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.
The Electronic Structure of Nitrilimine: Absence of the Carbenic Form
Cargnoni F;Ponti A
2006
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.File in questo prodotto:
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Descrizione: The electronic structure of nitrilimine: absence of the carbenic form
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