Synthesis, crystal structure, and multifunctional adsorptive properties of a copper(II) 4-acetamidobenzoate MOF

Yuldashboyevna D.S. Bakhtiyarovna B.G. Yakubzhanova Z.B. Kumar A. Yusupboevich Y.Y. Suleimanovich T.K. Bozorov L. Lakshmanan A. Gao J. Balakrishnan C. Ibragimov A.B.
January 2026 Springer

Adsorption
2026 #32 Issue 1

A novel copper(II)-based metal-organic framework (MOF), hexakis(4-acetamidobenzoato)dicopper(II), was synthesized via a solution-based reaction using 4-acetamidobenzoic acid and copper(II) chloride. Structural elucidation through single-crystal X-ray diffraction revealed a classical paddle-wheel dicopper(II) core with bidentate bridging by six acetamidobenzoate ligands, forming a distorted square-pyramidal coordination geometry. Spectroscopic analyses (FT-IR, Raman, UV-Vis) confirmed successful metal–ligand coordination, while thermal analysis highlighted multi-step decomposition with stable CuO residue. SEM–EDS and XRF affirmed high crystallinity and homogenous elemental distribution. Hirshfeld surface and DFT-based frontier molecular orbital (FMO) analyses underscored strong intermolecular interactions and semiconducting behavior with a narrow band gap (0.36 eV), indicating potential in catalytic and optoelectronic applications. Adsorption studies demonstrated significant dye uptake capacities, with preferential chemisorption of methyl orange due to favorable structural and electronic properties. Furthermore, the MOF exhibited promising CO₂ and C₂H₂ gas adsorption behavior, with stronger van der Waals interaction and higher uptake for acetylene. These findings demonstrate the multifunctional potential of this copper MOF in environmental remediation, separation technologies, and sensor development.

4-acetamidobenzoic acid , Adsorption , Copper(II) complex , Crystal structure , MOF

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Institute of General and Inorganic Chemistry of Uzbekistan Academy of Sciences, Mirzo Ulug’bek str., 77a, Tashkent, 100170, Uzbekistan
Nano-Technology Research Laboratory, Department of Chemistry, GLA University, Uttar Pradesh, Mathura, 281406, India
Institute of Functional Porous Materials School of Materials Science and Engineering Zhejiang, Sci-Tech University, Hangzhou, 310018, China
JSC Institute of Chemical Sciences named after A.B. Bekturov, st. Ualikhanov, 106, Almaty, 050010, Kazakhstan
Termiz State Pedagogical Institute, At-Termiziy Str, Termez, 207271895, Uzbekistan

Institute of General and Inorganic Chemistry of Uzbekistan Academy of Sciences
Nano-Technology Research Laboratory
Institute of Functional Porous Materials School of Materials Science and Engineering Zhejiang
JSC Institute of Chemical Sciences named after A.B. Bekturov
Termiz State Pedagogical Institute

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