ABSTRACT

A new photoluminescent disc-like copper (II) metallomesogen of the type [CuL₂] {H₂L = 2,4-bis((E)-((4-(hexadecyloxy)phenyl)imino)methyl)phenol} have been synthesized. The compounds were characterized by elemental analyses, Fourier transform infrared spectroscopy (FTIR), ¹H, ¹³C nuclear magnetic resonance (NMR), ultraviolet – visible spectroscopy (UV – Vis), thermogravimetric analysis (TGA) and high-resolution mass spectrometry. Mesomorphic behavior of the compounds was probed with the help of polarizing optical microscopy (POM) and differential scanning calorimetry (DSC). The organization of the molecules in the mesophase was investigated by X-ray diffraction techniques. The ligand is non-mesogenic but the copper complex exhibited thermally stable columnar mesophases at about 86°C. The copper complex is a blue-light emitter both in solution and in the solid state. The Density Functional Theory (DFT) study was carried out using 6–31 G (d, p) basis set with unrestricted B3LYP level to obtain a stable, optimized structure, which revealed a distorted square-planar geometry for the copper complexes.

摘要

一种新型光致发光圆盘状铜(II)金属介晶，其类型为[CuL ₂ ] {H ₂ L = 2,4-bis((E)-((4-(十六烷氧基)苯基)亚氨基)甲基)苯酚}合成的。^{通过元素分析、傅里叶变换红外光谱 (FTIR)、 1} H、¹³对化合物进行了表征13C核磁共振（NMR）、紫外-可见光谱（UV-Vis）、热重分析（TGA）和高分辨率质谱分析。借助偏光光学显微镜（POM）和差示扫描量热法（DSC）探讨了化合物的介晶行为。通过 X 射线衍射技术研究了中间相分子的组织。该配体是非介晶的，但铜络合物在约 86°C 时表现出热稳定的柱状中间相。铜络合物在溶液和固态下都是蓝光发射体。密度泛函理论 (DFT) 研究使用 6-31 G (d, p) 基组和不受限制的 B3LYP 水平进行，以获得稳定、优化的结构，揭示了铜配合物的扭曲方形平面几何形状。