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

Conference · Thu Nov 17 04:00:00 EST 2005 · Liquid Crystals IX, edited by I.-C. Khoo (SPIE, Bellingham, WA, 2005)

OSTI ID:859944

Noto, A G ^[1]; Marshall, K L

---

1. Laboratory for Laser Energetics, University of Rochester, Rochester, NY

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.

• Research Organization: Laboratory for Laser Energetics, University of Rochester, Rochester, NY
• Sponsoring Organization: USDOE
• DOE Contract Number: FC52-92SF19460
• OSTI ID: 859944
• Report Number(s): DOE/SF/19460-640; 1600; 2005-8
• Conference Information: Journal Name: Liquid Crystals IX, edited by I.-C. Khoo (SPIE, Bellingham, WA, 2005)
• Country of Publication: United States
• Language: English

Related Subjects

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
CHEMISTRY
CHIRALITY
CONFIGURATION
FORECASTING
LIQUID CRYSTALS
MIXTURES
ROTATION
SYNTHESIS
TESTING
chirality
dopant
helical twisting power
liquid crystal
scaled chirality index