Abstract: The pyridine derivative has been examined quantum mechanically to understand its physical and spectroscopic details along with various derivatives. The present work reports some liquid crystal molecules namely (1). 2-[4-(4-butylcyclohexyl)-2-fluorophenyl]-5-propylpyridine, (2). 2-[4-(4-ethylcyclohexyl)phenyl]-5-propylpyridine, (3). 2-[4-(4-ethylcyclohexyl)-3-fluorophenyl]-5-propylpyridine, (4). 2-[2-(4-butoxyphenyl) ethyl]-5-(4-ethylcyclohexyl) pyridine, (5) 2-{4-[2-(4-butylcyclohexyl) ethyl] phenyl}-5-ethylpyridine and (6) 4-ethylcyclohexyl 4-(5-pentylpyridin-2-yl) benzoate having structure of pyridine and its derivative. We have studied some physical and spectroscopic parameters (IR, Raman spectra) for analyzing its nature.

Keywords: Pyridine, Liquid Crystal, Density Functional Theory, Spectoscopic Study.