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Assignment of 13C resonances of a nematic liquid crystal using off-magic angle spinning

Deepak, Vinay HS and Suryaprakash, N and Joy, Anu and Ramanathan, KV (2004) Assignment of 13C resonances of a nematic liquid crystal using off-magic angle spinning. In: Magnetic Resonance in Chemistry, 42 . pp. 409-413.


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A novel method for assigning the resonances in the 13C NMR spectrum of a static liquid crystalline sample in its nematic phase is proposed. The method is based on the fact that the carbon chemical shifts in the isotropic phase and in the oriented phase under static and off-magic angle spinning (OMAS) conditions are uniquely related by the tensorial property of the CSA tensor, requiring just one OMAS spectrum and the assignment in the isotropic phase. A computational procedure is proposed to take into account deviations arising out of non-ideal experimental conditions and the assignments are made by identifying the minimum in the differences in the frequencies between calculated and experimental line positions. Practical implementation of the method has also been demonstrated in the case of the liquid crystal N-(4-ethoxybenzylidene)-4-n-butylaniline

Item Type: Journal Article
Additional Information: Copyright of this article belongs to John Wiley & Sons, Ltd.
Keywords: NMR;carbon 13 NMR;off-magic angle spinning;nematic liquid crystal;resonance assignment
Department/Centre: Division of Chemical Sciences > Sophisticated Instruments Facility (Continued as NMR Research Centre)
Division of Physical & Mathematical Sciences > Physics
Depositing User: Sandhya Jagirdar
Date Deposited: 08 Jun 2004
Last Modified: 19 Sep 2010 04:12
URI: http://eprints.iisc.ac.in/id/eprint/334

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