P. L. Praveen, D. Ojha
Aug 15, 2012
Citations
0
Influential Citations
20
Citations
Journal
Materials Chemistry and Physics
Abstract
Abstract The photoresponsive behaviour of fluorinated liquid crystals p -phenylene-4-methoxy benzoate-4-trifluoromethylbenzoate (FLUORO1), and 4-propyloxyphenyl-4-(4-trifluoromethylbenzoyloxy) benzoate (FLUORO2) has been systematically investigated using the CNDO/S + CI and INDO/S + CI methods. These methods have been employed to calculate/analyze the spectral shifts, and absorbance measurements in UV–visible region of the systems. The electronic transitions, absorption wavelength, HOMO (highest occupied molecular orbital), and LUMO (lowest unoccupied molecular orbital) energies have been calculated. Further, ultraviolet (UV) 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 substituents on transition energies, oscillator strength, and other absorption parameters have also been reported. The present article provides valuable information regarding enhancing the UV stability of molecules by marinating their conductivity.