Ea. Romanenko, PECULIARITIES OF THE MECHANISM OF CHLOROTROPIC AND CONFORMATIONAL ISOMERIZATION IN A SERIES OF CHLOROMETHYLISOCYANATES, Teoreticeskaa i eksperimentalnaa himia, 34(3), 1998, pp. 164-169
Thermodynamic and kinetic stability of chlorotropic isomers in a serie
s of chloromethylisocyanates Cl3-nHnC-N=C=O, where n = 0, 1, 2, has be
en shown by means of MNDO quantum-chemical calculations and Cl-35 NQR
spectroscopy. Phase transformation of two polymorphic modifications of
N-chlorocarbonylisocyanide dichloride, which is a stable iminocarbony
l form of trichloromethylisocyanate with low conformation activation b
arrier, has been investigated.