Computer simulation of chiral liquid crystal phases IX. Chiral induction in guest-host systems - Calculation of the helical twisting power

Citation
R. Memmer et F. Janssen, Computer simulation of chiral liquid crystal phases IX. Chiral induction in guest-host systems - Calculation of the helical twisting power, Z NATURFO A, 54(12), 1999, pp. 747-754
Citations number
36
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
ISSN journal
09320784 → ACNP
Volume
54
Issue
12
Year of publication
1999
Pages
747 - 754
Database
ISI
SICI code
0932-0784(199912)54:12<747:CSOCLC>2.0.ZU;2-N
Abstract
The chiral induction in liquid crystalline phases was studied by Monte Carl o simulation of the chiral Lebwohl-Lasher model. Binary guest-host systems composed of achiral and chiral molecules as well as of different chiral mol ecules were investigated in dependence on the composition. A cholesteric ph ase was induced by dissolving a small fraction of chiral molecules in a nem atic phase. For dilute solutions the equilibrium pitch was found to be a li near function of the chiral dopant concentration. Independent of system siz e effects the application of self-determined boundary conditions enabled th e determination of the symmetry adapted quantities for the chiral induction , the helical twisting power (HTP) and the achiral helical twisting power ( AHTP). Additionally, a different orientational behaviour of enantiomeric do pants in the chiral surroundings of a cholesteric host phase has been deter mined.