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Title: Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems

Abstract

Until recently, it has not been possible to determine with any real certainty a complete picture of chirality (absolute configuration, optical rotation direction, and helical twisting power) for new chiral compounds without first synthesizing, purifying, characterizing, and testing each and every new material. Recent advances in computational chemistry now allow prediction of certain key chiral molecular properties prior to synthesis, which now opens the possibility of pre-determining the chiroptical properties of new liquid crystal dopants and mixtures for advanced optical and photonics applications.

Authors:
;
Publication Date:
Research Org.:
Laboratory for Laser Energetics, University of Rochester, Rochester, NY
Sponsoring Org.:
USDOE
OSTI Identifier:
859944
Report Number(s):
DOE/SF/19460-640
1600; 2005-8; TRN: US0703223
DOE Contract Number:  
FC52-92SF19460
Resource Type:
Conference
Resource Relation:
Journal Name: Liquid Crystals IX, edited by I.-C. Khoo (SPIE, Bellingham, WA, 2005); Conference: SPIE 50th Annual Meeting, San Diego, CA, 31 July-4 August 2005
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; CHEMISTRY; CHIRALITY; CONFIGURATION; FORECASTING; LIQUID CRYSTALS; MIXTURES; ROTATION; SYNTHESIS; TESTING; helical twisting power; chirality; scaled chirality index; liquid crystal; dopant

Citation Formats

Noto, A.G., and Marshall, K.L.. Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems. United States: N. p., 2005. Web.
Noto, A.G., & Marshall, K.L.. Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems. United States.
Noto, A.G., and Marshall, K.L.. Thu . "Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems". United States. doi:.
@article{osti_859944,
title = {Application of Conputational Chemistry Methods to the Prediction of Chirality and Helical Twisting Power in Liquid Crystal Systems},
author = {Noto, A.G. and Marshall, K.L.},
abstractNote = {Until recently, it has not been possible to determine with any real certainty a complete picture of chirality (absolute configuration, optical rotation direction, and helical twisting power) for new chiral compounds without first synthesizing, purifying, characterizing, and testing each and every new material. Recent advances in computational chemistry now allow prediction of certain key chiral molecular properties prior to synthesis, which now opens the possibility of pre-determining the chiroptical properties of new liquid crystal dopants and mixtures for advanced optical and photonics applications.},
doi = {},
journal = {Liquid Crystals IX, edited by I.-C. Khoo (SPIE, Bellingham, WA, 2005)},
number = ,
volume = ,
place = {United States},
year = {Thu Nov 17 00:00:00 EST 2005},
month = {Thu Nov 17 00:00:00 EST 2005}
}

Conference:
Other availability
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