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
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.