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<p>Three 2,6-dimethoxyaniline Schiff base cadmium(II) complexes were synthesized via a one-pot reaction and characterized by spectroscopic methods (NMR, FT-IR, EA), X-ray crystallography, SEM/EDX and fluorescent spectroscopy. The molecular structures of complexes <b>1</b>–<b>3</b> were elucidated by X-ray crystallography, revealing penta-coordinated cadmium(II) centers with distorted square-pyramidal geometries. Mononuclear molecules form supramolecular structures through intermolecular C–H···Cl interactions and π···π stacking interactions, which further stabilize the structures of the complexes. DFT calculations were performed to analyze the electronic structures and frontier molecular orbitals. The fluorescence properties of complexes <b>1</b>–<b>3</b> were investigated in both solid-state and solution, exhibiting characteristic emission bands. The study provides insights into the structural and luminescent properties of these cadmium(II) complexes, demonstrating their potential applications as luminescent materials.</p> Graphical Abstract <p>Synthesis, structural characterization, and fluorescence analysis of three 2,6-dimethoxyaniline Schiff base Cd(II) complexes with distorted square-pyramidal geometries, supramolecular assembly via C–H···Cl/π–π interactions, and tunable luminescence properties for optoelectronic applications.</p> <p></p>

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Experimental and Theoretical Studies of Novel Cadmium(II) N2O-Schiff Base Complexes: Synthesis, Spectroscopic Characterization, X-ray Crystal Structure, and Fluorescent Properties

  • 期刊论文

  • 发表日期：

    2025年4月23日

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  • Yang Song,
  • Yangyang Zhao,
  • Zhengnan Zhou,
  • Jinyao Deng,
  • Ying Li,
  • Guohua Dong

摘要

Three 2,6-dimethoxyaniline Schiff base cadmium(II) complexes were synthesized via a one-pot reaction and characterized by spectroscopic methods (NMR, FT-IR, EA), X-ray crystallography, SEM/EDX and fluorescent spectroscopy. The molecular structures of complexes 1–3 were elucidated by X-ray crystallography, revealing penta-coordinated cadmium(II) centers with distorted square-pyramidal geometries. Mononuclear molecules form supramolecular structures through intermolecular C–H···Cl interactions and π···π stacking interactions, which further stabilize the structures of the complexes. DFT calculations were performed to analyze the electronic structures and frontier molecular orbitals. The fluorescence properties of complexes 1–3 were investigated in both solid-state and solution, exhibiting characteristic emission bands. The study provides insights into the structural and luminescent properties of these cadmium(II) complexes, demonstrating their potential applications as luminescent materials.

Graphical Abstract

Synthesis, structural characterization, and fluorescence analysis of three 2,6-dimethoxyaniline Schiff base Cd(II) complexes with distorted square-pyramidal geometries, supramolecular assembly via C–H···Cl/π–π interactions, and tunable luminescence properties for optoelectronic applications.