PECULIARITIES OF THE MECHANISM OF CHLOROTROPIC AND CONFORMATIONAL ISOMERIZATION IN A SERIES OF CHLOROMETHYLISOCYANATES

Authors
ROMANENKO EA
Citation
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
Citations number
10
Categorie Soggetti
Chemistry Physical
Journal title
Teoreticeskaa i eksperimentalnaa himia → ACNP
ISSN journal
04972627
Volume
34
Issue
3
Year of publication
1998
Pages
164 - 169
Database
ISI
SICI code
0497-2627(1998)34:3<164:POTMOC>2.0.ZU;2-G
Abstract
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.