JCPT  Vol.4 No.1 , January 2014
Study of Intermolecular Interactions in Liquid Crystals: Para-butyl-p’-cyano-biphenyl
ABSTRACT

Various characteristics of mesomorphism can be explained using intermolecular interactions between a pair of liquid crystalline molecules. The intermolecular interactions have been calculated considering multipole-multicentere expansion method and modified by second order perturbation treatments. For calculation of multipole i.e. charge, dipole, etc. at each atomic center of molecules, para-butyl-p’-cyano-biphenyl, GAMESS, an ab initio program, with 6-31G* basis set has been used. The stacking, in-plane and terminal interaction energies explain the liquid crystalline behaviour of the system.


Cite this paper
K. K. Dwivedi, M. K. Dwivedi and S. N. Tiwari, "Study of Intermolecular Interactions in Liquid Crystals: Para-butyl-p’-cyano-biphenyl," Journal of Crystallization Process and Technology, Vol. 4 No. 1, 2014, pp. 31-38. doi: 10.4236/jcpt.2014.41005.
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