Bent-core or 'banana-shaped' molecules have displayed an array of novel chiral liquid crystal (LC) phases. However, the descriptions of these molecules as having well defined bend angles, and possibly exhibiting shape-chirality, have limited analytical support. Here, we present a step toward a more detailed understanding of the core moiety in banana molecules in LC phases, with the goal of guiding further molecular design and characterization efforts. We present H-2 NMR studies on two of the popular banana core moieties, analyzed using ab initio structure calculations and the steric 'inertial frame' model.

Investigating the Core moiety of Banana-Shaped Liquid Crystals using 2H NMR coupled with Quantum Simulations

DOMENICI, VALENTINA;VERACINI, CARLO ALBERTO
2005

Abstract

Bent-core or 'banana-shaped' molecules have displayed an array of novel chiral liquid crystal (LC) phases. However, the descriptions of these molecules as having well defined bend angles, and possibly exhibiting shape-chirality, have limited analytical support. Here, we present a step toward a more detailed understanding of the core moiety in banana molecules in LC phases, with the goal of guiding further molecular design and characterization efforts. We present H-2 NMR studies on two of the popular banana core moieties, analyzed using ab initio structure calculations and the steric 'inertial frame' model.
Domenici, Valentina; Madsen, L. A.; Choi, E. J.; Samulsky, E. T.; Veracini, CARLO ALBERTO
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/183906
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