Synthesis and characterization of efficient photosensitive and DFT studies on 2-Benzylidene-1-(5,6-diphenyl-1,2,4-triazine-3-yl)hydrazine metal complexes

Abstract

Co(II), Cu(II) and UO2(II)-complexes of 2-Benzylidene-1-(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazine (HBDHT) have been synthesized and well characterized by elemental analyses, molar conductance, electronic and FT-IR, SEM and XRD techniques. Spectral data confirmed the molecular structure of the proposed complexes. Structural parameters of the present compounds were obtained using a density function (DFT) molecular orbital calculation at the B3LYP/6-31G(d) level implemented by the Gaussian 09 program. All the synthesized compounds may attend as potential photoactive provisions as indicated from their distinctive fluorescence. Moreover, the fluorescence studies showed that the order of emission wavelengths and Stokes shifts are HBDHT-complex > Co(II)-complex >> UO2(II)-complex. Investigation of the absorption coefficient close to the absorption edge implies that the type of band gap is direct allowed and has a value of 3.75 eV. The heterojunction of Cu-BDHT films/p-Si showed remarkable rectifying behavior in dark as well as demonstrated distinguished photovoltaic characteristics under illumination of 100 mW/cm2. Furthermore, the time-dependent photocurrent investigation demonstrated an acceptable response time to the influence of light. This responsivity characteristic specifies a recommendation for the prepared heterojunction for opening another point of view in photodetector applications.