Research Article
Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT
Table 6
DFT/CAM-B3LYP/ 6-311++
results for the linear refractive index and third-order nonlinear susceptibility
for the case dynamic (
) of the EPAF crystal.
| Sample | | |
| EPAF (this work) | 2.02 | 6793.08 | (2E)-3-(3-methylphenyl)-1-(4-nitrophenyl)prop-2-en-1-one (3MPNP) [17] | 1.418 | 277.1 | (2E)-1-(4-bromophenyl)-3-[4-methylsulfanyl) phenyl]prop-2-en-1-one (4Br4MSP) [17] | 1.363 | 2.30 | (2E)-1-(3-bromophenyl)-3-[4(methylsulfanyl) phenyl]prop-2-en-1-one (3Br4MSP) [17] | 1.365 | 1.99 | (2E)-3[4(methylsulfanyl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (4N4MSP) [17] | 1.360 | 2.37 |
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