THE SYNTOPY MODEL AND THE TRANSITION-STAT E OF CHEMICAL-REACTIONS - MEMBERSHIP FUNCTIONS AND BRONSTED COEFFICIENTS FOR CIS-TRANS ISOMERIZATION

Citation
J. Maruani et A. Torolabbe, THE SYNTOPY MODEL AND THE TRANSITION-STAT E OF CHEMICAL-REACTIONS - MEMBERSHIP FUNCTIONS AND BRONSTED COEFFICIENTS FOR CIS-TRANS ISOMERIZATION, Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 323(9), 1996, pp. 609-615
Citations number
24
Categorie Soggetti
Multidisciplinary Sciences
ISSN journal
12518069
Volume
323
Issue
9
Year of publication
1996
Pages
609 - 615
Database
ISI
SICI code
1251-8069(1996)323:9<609:TSMATT>2.0.ZU;2-D
Abstract
The previously proposed syntopy model, which provides a continuous ext ension of the symmetry concept for quasi-symmetric structures, is used to quantify the symmetry resemblance of the transition state to the i nitial and final states in chemical reactions. Cis-trans isomerization of molecules of type XYC-CYX is presented as an example, and the memb ership functions of the transition state relative to the symmetry doma ins defined by the cis-and trans-structure point groups are related to the corresponding Bronsted coefficients.