Computer-assisted molecular modeling of cholesteric helix induced by chiral dopant in nematic phase

Tatiana G. Drushlyak; Alexander P. Fedoryako; Lidiya A. Kutulya

doi:10.1117/12.569822

20 July 2004 Computer-assisted molecular modeling of cholesteric helix induced by chiral dopant in nematic phase

Tatiana G. Drushlyak, Alexander P. Fedoryako, Lidiya A. Kutulya

Proceedings Volume 5507, XVI International Conference on Spectroscopy of Molecules and Crystals; (2004) https://doi.org/10.1117/12.569822
Event: XVI International Conference on Spectroscopy of Molecules and Crystals, 2003, Sevastopol, Ukraine

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.

Citation Download Citation

Tatiana G. Drushlyak, Alexander P. Fedoryako, and Lidiya A. Kutulya "Computer-assisted molecular modeling of cholesteric helix induced by chiral dopant in nematic phase", Proc. SPIE 5507, XVI International Conference on Spectroscopy of Molecules and Crystals, (20 July 2004); https://doi.org/10.1117/12.569822

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available