ArticleACS omega2023
l-Isoleucine-Schiff Base Copper(II) Coordination Polymers: Crystal Structure, Spectroscopic, Hirshfeld Surface, and DFT Analyses.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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6 citing papers in PubMed.
- Selective cytotoxicity of [Cu(theophylline)(HRSC advances · 2026Article
- A new, AIE-active "butterfly-shaped" Salicylaldehyde Schiff Base as a turn-on Fluorescent Probe for Highly Selective and Sensitive AlJournal of fluorescence · 2026Article
- Novel Zinc(II) 2,6-dimethoxybenzamidine Schiff Base Complexes: Design, Synthesis, X-ray Crystal Structure, Fluorescence Properties and Density Functional Theory Calculations.Journal of fluorescence · 2025Article
- 8-Aminoquinoline-Based Promising Zn Complexes with Dicyanamide and Tricyanomethane Anions: SupramolecularACS omega · 2025Article
- DFT and TDDFT exploration on the role of pyridyl ligands with copper toward bonding aspects and light harvesting.Journal of molecular modeling · 2023Article
- Integrated Structural, Functional, and ADMET Analysis of 2-Methoxy-4,6-diphenylnicotinonitrile: The Convergence of X-ray Diffraction, Molecular Docking, Dynamic Simulations, and Advanced Computational Insights.Molecules (Basel, Switzerland) · 2023Article
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Authors and funding
11 authors.
Funding
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Abstract
A new copper(II) coordination polymer was synthesized from the l-isoleucine-Schiff base and characterized by elemental analysis, Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-vis) spectroscopy, single-crystal X-ray diffraction (XRD) analysis, electronic paramagnetic resonance, and thermogravimetric analysis. XRD analysis confirmed the square planar coordination geometry of metallic centers and a zipper-like polymer structure. Vibrational, electronic, and paramagnetic spectroscopies and thermal analysis were consistent with the crystal structure. A Hirshfeld surface (HS) and density functional theory (DFT) analyses were employed to gain additional insight into interactions responsible for complex packing. The quantitative examination of two-dimensional (2D) fingerprint plots revealed, among other van der Waals forces, the dominating participation of H···H and H···Cl interactions in the molecular packing. The use of computational methods provided great help in detailing the supramolecular interactions occurring in the crystal, which were mainly van der Waals attractions. The electronic transition analysis helped corroborate the electronic transitions observed experimentally in the absorption spectrum. The frequency and vibrational mode analysis gave a deeper insight into the characterization of the CuL
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