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Effect of phase symmetry on the NMR spectrum of acetonitrile oriented in a uniaxial-biaxial-uniaxial phase

Deepak, Vinay HS and Yelamaggad, CV and Khetrapal, CL and Ramanathan, KV (2016) Effect of phase symmetry on the NMR spectrum of acetonitrile oriented in a uniaxial-biaxial-uniaxial phase. In: JOURNAL OF MOLECULAR STRUCTURE, 1119 . pp. 110-114.

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Official URL: http://dx.doi.org/10.1016/j.molstruc.2016.04.044

Abstract

We report here the measurement of the C-H and the H-H dipolar couplings of the methyl group of acetonitrile oriented in the biaxial liquid crystal potassium laurate/1-decanol/water system. These parameters show large variations when measured as a function of temperature. The variations follow the symmetry of the phase as the liquid crystal goes through the sequence of uniaxial - biaxial - uniaxial phases and show a close correspondence to the phase changes that occur in the liquid crystalline solvent coinciding with the onset of biaxiality. The H-C-H bond angle calculated after incorporating vibrational corrections to the dipolar couplings is discussed in terms of contributions in the case of the biaxial liquid crystal arising from vibration rotation interaction effects.(c) 2016 Elsevier B.V. All rights reserved.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Keywords: Liquid crystals; Biaxial phase; Dipolar coupling; Molecular geometry; Oriented molecule; Acetonitrile
Department/Centre: Division of Chemical Sciences > NMR Research Centre (Formerly Sophisticated Instruments Facility)
Division of Physical & Mathematical Sciences > Physics
Depositing User: Id for Latest eprints
Date Deposited: 19 Aug 2016 09:44
Last Modified: 19 Aug 2016 09:44
URI: http://eprints.iisc.ac.in/id/eprint/54304

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