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首页> 外文期刊>Optical Materials >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
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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

机译：2-苄叉基-1-（5,6-二苯基-1,2,4-三嗪-3-基）肼金属配合物的有效光敏和DFT研究的合成与表征

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摘要

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/cm(2). 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.
机译：合成了2-苄叉基-1-（5,6-二苯基-1,2,4-三嗪-3-基）肼（HBDHT）的Co（II），Cu（II）和UO2（II）配合物，具有良好的元素分析，摩尔电导，电子和FT-IR，SEM和XRD技术特征。光谱数据证实了所提出的配合物的分子结构。使用由高斯09程序实现的B3LYP / 6-31G（d）级的密度函数（DFT）分子轨道计算获得了本发明化合物的结构参数。如其独特的荧光所示，所有合成的化合物均可作为潜在的光敏物质参与。此外，荧光研究表明，发射波长和斯托克斯频移的顺序为HBDHT-络合物> Co（II）-络合物> UO2（II）-络合物。研究接近吸收边缘的吸收系数意味着带隙的类型是直接允许的，其值为3.75 eV。 Cu-BDHT膜/ p-Si的异质结在黑暗中显示出显着的整流性能，并在100 mW / cm（2）的光照下表现出出色的光伏特性。此外，随时间变化的光电流研究显示出对光影响的可接受的响应时间。此响应度特性指定了准备好的异质结的建议，以打开光电探测器应用中的另一种观点。

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