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Proceedings Paper

Computer-assisted molecular modeling of cholesteric helix induced by chiral dopant in nematic phase
Author(s): Tatiana G. Drushlyak; Alexander P. Fedoryako; Lidiya A. Kutulya
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Paper Abstract

We present a microscopic analysis of origin of a helix in the nematic solvent with a dissolved chiral dopant. Obtained equations connect the helical pitch and helical twisting power of the chiral dopant with the twist angle of molecular long axes in the induced cholesteric liquid crystalline phase. Twist angle was obtained from results of computer modeling of intermolecular interactions in an ensemble of molecules of nematic solvent surrounding chiral dopant molecule. Results of calculations by the proposed method for the row of chiral dopants in two nematic solvents, N-(4-methoxybenzylidene)-4'- butylaniline (MBBA) and 4-pentyl-4'-cyanobiphenyle (5CB) are in good agreement with experimental data.

Paper Details

Date Published: 20 July 2004
PDF: 8 pages
Proc. SPIE 5507, XVI International Conference on Spectroscopy of Molecules and Crystals, (20 July 2004); doi: 10.1117/12.569822
Show Author Affiliations
Tatiana G. Drushlyak, Institute for Single Crystals (Ukraine)
Alexander P. Fedoryako, Institute for Single Crystals (Ukraine)
Lidiya A. Kutulya, Institute for Single Crystals (Ukraine)

Published in SPIE Proceedings Vol. 5507:
XVI International Conference on Spectroscopy of Molecules and Crystals
Galyna O. Puchkovska; Tatiana A. Gavrilko; Olexandr I. Lizengevich, Editor(s)

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