Abstract
The calculation of spectral shifts in UV–Visible region, and photo stability of thermotropic liquid crystals p-n-Alkoxy cinnamic acid (nOCAC) with n=2, 4, 6, and 8 have been systematically investigated using the CNDO/S+CI, and INDO/S+CI methods. These methods have been employed to calculate/ analyze the geometric structures, absorbance measurements, spectral shifts in UV–Visible region, and photo stability of the nOCAC molecules. The electronic transitions, absorption wavelength, HOMO, and LUMO energies have been reported. Further, photo stability of the molecules has been discussed in the light of absorption wavelength, and electronic transition oscillator strength (f). The effect of different solvent media and alkyl chain length on these factors has also been discussed. It has been observed that the HOMO, LUMO, and energy gap are independent for the chosen solvents. In the present article, an attempt has been made for a new insight on photo stability of liquid crystals by maintaining their conductivity. Further, these absorption spectra will provide valuable data base for future computational studies, and the other experimental investigations.
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