Study of Photoisomerization in Cis-Retinal as a Natural Photo switch in Vision Using Density Functional Theory

In the present study, theoretical chemical reactivates Photo isomerization in Cis-Retinal as a Natural Photo switch in Vision. DFT hybrid functional, B3LYP and, post-HF method, were the theoretical methods applied utilizing G09 software. 6-31G+ (d,p) basis set employed for structural optimizations, and single point computations performed using B3LYP/6-31G+(d,p). The isomers cis molecule retinal from 0 to 180 ° in steps of 10 degrees to the trans isomers convert and we calculate the energy in each step, we determined that the most appropriate angle for the conversion of isomers of cis to trans angle = 90.11  the energy barrier less be.It identified that transmission S0 S1 is the most likely transmission

کلیدواژه ها:

Photoisomerization ، Retinal ، Photo switch ، DFT ، B3LYP