<p>In this study, a Schiff base organic ligand (denoted as <b>H</b><sub><b>2</b></sub><b>L</b>) bearing specific substituents was prepared by an aldehyde-amine condensation reaction of <i>o</i>-phenylenediamine with 5-fluorosalicylaldehyde. On this basis, we further employed a solvothermal method to react the prepared <b>H</b><sub><b>2</b></sub><b>L</b> with zinc chloride in methanol as the reaction medium. After a coordination reaction process, a novel zinc complex crystal (<b>1</b>) with a trinuclear core structure was successfully prepared. Complex <b>1</b> was characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis, FT–IR spectra, <sup>1</sup>H/<sup>13</sup>C NMR, UV–Vis and fluorescence spectra. Single-crystal structure analysis indicates that the asymmetric unit is connected via intermolecular C–H···Cl/F hydrogen bonding to form a two-dimensional supramolecular, which is verified by the two-dimensional fingerprint plot. The analysis of the fluorescence spectra indicates that the zinc complex exhibits strong green fluorescence emission around 500&#xa0;nm upon excitation at 365&#xa0;nm. Zinc complex <b>1</b> possess unique fluorescent properties, providing experimental and theoretical support for the development of novel zinc complex fluorescent materials, while also expanding the application prospects of Schiff base complexes in the field of photoluminescent materials.</p> Graphical Abstract <p>Synthesis, supramolecular structure, Hirshfeld surface analysis and energy framework analysis of a novel trinuclear salicylaldehyde Schiff base zinc(II) complex, forming a two-dimensional supramolecular structure via C–H···Cl/F hydrogen bonding interactions. Fluorescence performance testing indicates strong green fluorescence at 500 nm, suggesting its potential as a fluorescent material</p> <p></p>

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Synthesis, X-ray Crystallographic, Spectral Properties and Computational Insights of a Novel Trinuclear Salicylaldehyde Schiff Base Zinc(II) Complex

  • Xiting Wang,
  • Yuhan Zhang,
  • Guoce An,
  • Qianlong Hao,
  • Yangyang Song,
  • Yuwei Dong

摘要

In this study, a Schiff base organic ligand (denoted as H2L) bearing specific substituents was prepared by an aldehyde-amine condensation reaction of o-phenylenediamine with 5-fluorosalicylaldehyde. On this basis, we further employed a solvothermal method to react the prepared H2L with zinc chloride in methanol as the reaction medium. After a coordination reaction process, a novel zinc complex crystal (1) with a trinuclear core structure was successfully prepared. Complex 1 was characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis, FT–IR spectra, 1H/13C NMR, UV–Vis and fluorescence spectra. Single-crystal structure analysis indicates that the asymmetric unit is connected via intermolecular C–H···Cl/F hydrogen bonding to form a two-dimensional supramolecular, which is verified by the two-dimensional fingerprint plot. The analysis of the fluorescence spectra indicates that the zinc complex exhibits strong green fluorescence emission around 500 nm upon excitation at 365 nm. Zinc complex 1 possess unique fluorescent properties, providing experimental and theoretical support for the development of novel zinc complex fluorescent materials, while also expanding the application prospects of Schiff base complexes in the field of photoluminescent materials.

Graphical Abstract

Synthesis, supramolecular structure, Hirshfeld surface analysis and energy framework analysis of a novel trinuclear salicylaldehyde Schiff base zinc(II) complex, forming a two-dimensional supramolecular structure via C–H···Cl/F hydrogen bonding interactions. Fluorescence performance testing indicates strong green fluorescence at 500 nm, suggesting its potential as a fluorescent material