Quantum Chemical Evaluation of Intermolecular Forces in a Compound Producing Lyotropic Liquid Crystal: Part I
The structure of lyotropic mesophases is critically influenced by the nature and relative amount of dispersing medium. This fact alone is sufficient to direct one’s attention to the nature, disposition and magnitude of intemolecular forces, attractive as well as repulsive, as the probable determinants of stability and phase transitions in these systems. This suspicion is further strengthened by the fact that structural classes in these systems are much fewer than the compounds involved (Mishra, 1972)pointing out again that relatively general forces as opposed to highly specific orbital configurations and characteristics of atoms, might be directly involved in the production of this state. Indeed, the presence of large apoiar segments with relatively weak residual atomic charges and polar ends stresses again the need to search in the same direction. It would seem that the dispersing medium brings about the phase changes by affecting the geometric disposition and magnitudes of the intermolecular forces.
KeywordsTorsion Angle Relative Energy Intermolecular Force Conformational Energy Lower Minimum
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