The electronic structure of nitrilimine: absence of the carbenic form.
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.
Cargnoni
Fausto
F
Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, via Golgi 19, Milano, Italy.
Molteni
Giorgio
G
Cooper
David L
DL
Raimondi
Mario
M
Ponti
Alessandro
A