Two nematic liquid crystals, viz. 4-octyl-4^׳-cyanobiphenyl (CBP8) and 4-octyloxy-4^׳-cyanobiphenyl (OCBP8) have been studied using CNDO/S and INDO/S approaches. The impact of different solvents (benzene, chloroform), and oxygen substitution on electronic origins of shifts in wavelengths have been summarized. The substituent and solvents induced shifts of the molecules in absorption maxima, extinction coefficient, and energy band gap have been analyzed. The changes in photosensitivity and conductivity of these compounds from the view point of these shifts have been analyzed. Other parameters such as ionization potential, chemical potential, electron affinity, electro negativity, hardness, softness of the molecules have also been reported. The solvent-specific alteration of optical and electro chemical properties have been discussed for wavelength tunable device and light modulation applications.

两个向列液晶，即。4-octyl-4 ^׳ -cyanobiphenyl (CBP8) 和 4-octyloxy-4 ^׳-氰基联苯 (OCBP8) 已使用 CNDO/S 和 INDO/S 方法进行了研究。已经总结了不同溶剂（苯、氯仿）和氧取代对波长偏移的电子起源的影响。已经分析了取代基和溶剂引起的分子在吸收最大值、消光系数和能带隙方面的位移。从这些变化的角度分析了这些化合物的光敏性和电导率的变化。其他参数如电离势、化学势、电子亲和性、电负性、硬度、分子的软度也已被报道。已经针对波长可调器件和光调制应用讨论了光学和电化学性质的溶剂特异性改变。