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.
Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, via Golgi 19, Milano, Italy.
Fausto
F
Cargnoni
Giorgio
G
Molteni
David L
DL
Cooper
Mario
M
Raimondi
Alessandro
A
Ponti