Synthesis, spectroscopic characterization and determination of the nonlinear optical properties of 2-(4-chlorobenzylidene) malononitrile using a computational method and Z-scan technique

A synthesis and theoretical study was carried out on UV-vis spectra of 2-(4-chlorobenzylidene) malononitrile. The structure, the geometry optimization, and the properties of non-linear optics were also investigated using the theory level M062X/6311 + +G (d, p). The Z-scan technique was used to establish the optical properties of 4ClD2MM as a function of the laser emission power; said compound was diluted in tetrahydrofuran to a fixed concentration of 0.1 M. By means of the same technique it was possible to establish non-linear parameters such as the non-linear refractive index, the non-linear absorption coefficient and the electronic third-order susceptibility. For these measurements, a Nd: YAG CW laser was used emitting at 532 nm, as well as a focus of a 10 cm lens, a 1 mm iris and a cell with a length of 1 mm. (paper)