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Journal Article

Conformation of the ethoxy group in 4-ethoxy-4'-cyanobiphenyl

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Zimmermann,  Herbert
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;
Zimmermann Group, Max Planck Institute for Medical Research, Max Planck Society;
Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society;

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Citation

Emsley, J. W., Horne, T. J., Celebre, G., Longeri, M., & Zimmermann, H. (1992). Conformation of the ethoxy group in 4-ethoxy-4'-cyanobiphenyl. The Journal of Physical Chemistry, 96(20), 7929-7934. doi:10.1021/j100199a021.


Cite as: https://hdl.handle.net/21.11116/0000-0000-5FD7-4
Abstract
The deuterium and proton NMR spectra of samples of 4-ethoxy-4'-cyanobiphenyl dissolved in the nematic liquid crystal 4-hexyloxy-4'-cyanobiphenyl have been analyzed to yield quadrupolar splittings and dipolar couplings. The data are compared with values calculated for three models for the conformations adopted by the ethoxy group relative to the attached phenyl ring. These models are (a) a set of four, symmetry-related structures, (b) discrete, minimum-energy structures generated by jumps about the C4-0, O-C7, and C7-C8 bonds, and (c) the same as (b) except that a continuous potential is adopted for the motion about the 0-C7 bond