ALCHEMY Jurnal Penelitian Kimia
Vol 22, No 1 (2026): March

Synthesis, Characterization, and DFT Computational Study of Cu(II) Complex with 3-Hydroxybenzoate

Fastabiqul Khoirot (Sebelas Maret University)
Muhammad David Julian Syach (Sebelas Maret University)
Sentot Budi Rahardjo (Sebelas Maret University)
Triana Kusumaningsih (Sebelas Maret University)



Article Info

Publish Date
31 Mar 2026

Abstract

This study focuses on the synthesis, characterization, and density functional theory (DFT) computational study of Cu(II) complexes with 3-hydroxybenzoic acid ligands. The synthesis process was carried out by reacting CuCl₂·2H₂O with 3-hydroxybenzoic acid ligands in methanol, refluxing for 3 hours, and allowing the mixture to stand until complex precipitation formed. The complex formula was determined by atomic absorption spectrometry (AAS), thermogravimetric analysis (TGA), and molar conductivity measurements (41 S·cm2·mol-1), indicating that Cl⁻ acts as a counterion and that the complex formula is [Cu(3-hydroxybenzoate)2]Cl2·4H2O. The complex exhibits a single electronic absorption peak at 914 nm, indicating ligand-metal charge transfer (LMCT) and d-d transitions, consistent with a distorted square-planar geometry. The infrared spectrum shows a phenolic –OH band, indicating that –OH is not deprotonated. Computational methods were used to reveal the electronic structure and molecular geometry, and to verify the experimental data. This complex forms a distorted square planar structure.

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Journal Info

Abbrev

alchemy

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Energy Environmental Science Materials Science & Nanotechnology

Description

ALCHEMY Jurnal Penelitian Kimia is a chemistry journal published by Sebelas Maret University, Surakarta. ALCHEMY Jurnal Penelitian Kimia publishes original research articles or review articles in organic chemistry, inorganic chemistry, analytical chemistry, physical chemistry, biochemistry, and ...