A NEW TWIST TO MOLECULAR CHIRALITY - INTRINSIC CHIRALITY INDEXES

Citation
Ma. Osipov et al., A NEW TWIST TO MOLECULAR CHIRALITY - INTRINSIC CHIRALITY INDEXES, Molecular physics, 84(6), 1995, pp. 1193-1206
Citations number
25
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
84
Issue
6
Year of publication
1995
Pages
1193 - 1206
Database
ISI
SICI code
0026-8976(1995)84:6<1193:ANTTMC>2.0.ZU;2-T
Abstract
We propose an intrinsic molecular chirality tensor based only on nucle ar positions. The chirality tensor gives rise to two universal chirali ty indices, the first, giving information about absolute chirality, an d the second about the anisotropy chirality, i.e., the degree of chira lity in different spatial directions. The formalism is derived using s imple models obtained from the theory of optical activity. The indices are calculated analytically for a right angled tetrahedron, and numer ically for a small selection of molecules.