Pyngrope Hunshisha, Chetia Jagritima, Kharpan Bandashisha, Pradhan Amit Kumar, Paul Pradip C
Department of Chemistry, Assam University, Silchar, 788011, Assam, India.
Department of Chemistry, Indian Institute of Technology Delhi, New Delhi, 110016, India.
J Fluoresc. 2025 Apr 11. doi: 10.1007/s10895-025-04297-9.
A new photoluminescent Schiff base ligand derived from L-histidine and its zinc(II) complex have been synthesized and characterized by various analytical techniques. The mesomorphic properties of the compounds were examined, revealing that only the ligand exhibits liquid crystalline property of the nematic phase. The photophysical properties of both the ligand and its zinc(II) complex were studied in solvents of varying polarity using UV-Vis and emission spectroscopic techniques. Both compounds displayed blue light fluorescence in solution at room temperature, with the Zn(II) complex exhibiting higher emission intensity. The aggregation induced emission (AIE) of Zn(II) complex was investigated through optical spectroscopy in non-coordinating and coordinating solvents. The optical band gap of the compounds determined from the absorption spectra was found to be within the range typical for semi-conducting materials. The Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) calculations were carried out to obtain the optimized geometry, as well as to assess the photophysical properties of the compounds theoretically.
一种源自L-组氨酸的新型光致发光席夫碱配体及其锌（II）配合物已通过各种分析技术合成并表征。研究了这些化合物的介晶性质，结果表明只有配体表现出向列相的液晶性质。使用紫外可见光谱和发射光谱技术，在不同极性的溶剂中研究了配体及其锌（II）配合物的光物理性质。两种化合物在室温下的溶液中均显示蓝光荧光，锌（II）配合物表现出更高的发射强度。通过光谱学在非配位和配位溶剂中研究了锌（II）配合物的聚集诱导发光（AIE）。由吸收光谱确定的化合物的光学带隙在半导体材料的典型范围内。进行了密度泛函理论（DFT）和含时密度泛函理论（TD-DFT）计算，以获得优化的几何结构，并从理论上评估化合物的光物理性质。
