Disappearance of the Nematic Phase of 2,5-Disubsituted Pyridine Derivatives by Changing the Position of the Nitrogen: A Quantum Mechanical Explanation

Abstract

We try to explain the causes of the disappearance of the nematic phase by changing the position of the nitrogen in 2,5-disubsituted pyridine derivatives by quantum mechanical theory. The findings explain that the electrostatic interactions along with shape anisotropy are causes of sequential appearances/disappearances of liquid crystal phases. The antiparallel or parallel orientations also play a crucial role in the formation of liquid crystal phases. The study reveals the strong alignment of mesogens in the liquid crystal phase.

Keywords:

• Intermolecular interaction
• mesophases
• multicenter multipole

Acknowledgment

The authors are thankful to the Dept. Science & Technology for providing the computational facilities under DST-FIST grant No. SR/FST/PSI?204.