CHEMICAL ALGEBRA .2. DISCRIMINATING PAIRING PRODUCTS

Authors
Citation
R. Chauvin, CHEMICAL ALGEBRA .2. DISCRIMINATING PAIRING PRODUCTS, Journal of mathematical chemistry, 16(3-4), 1994, pp. 257-268
Citations number
4
Categorie Soggetti
Chemistry,Mathematics
ISSN journal
02599791
Volume
16
Issue
3-4
Year of publication
1994
Pages
257 - 268
Database
ISI
SICI code
0259-9791(1994)16:3-4<257:CA.DPP>2.0.ZU;2-W
Abstract
The algebra of stereogenic pairing equilibria is presented in a very g eneral context. Starting from the notions of fuzzy subgroup and conjug acy link, chemical pairing constants between molecular species u and v having a skeletal symmetry group G are formulated as ''pairing produc ts'' on a G-Hilbert space. ''Discriminating pairing products'' K are d efined by the conditions: ''K greater-than-or-equal-to 1'' and ''K = 1 double-line arrow pointing left and right the representative vectors of the paired species are G-equivalent''. When G has only two elements , the pairing product is always discriminating. For several skeletal s ymmetries, if the vectors are ''enantiomorphic (v = sigmau, sigma2 = e , sigma is-not-an-element-of G), then K is greater than 1 and reaches 1 only if u is ''achiral'': ''chirality indexes'' and general ''permut ational indexes'' are then defined from K(u, sigmau). The general mode l is illustrated by some examples.