TerDU xabarlari Ҷилди 1 № 1 (2026)
Crystal Structure, Vibrational Spectroscopic Characterization, and Bond Valence Sum (BVS) Analysis of a Copper(II)-H2EDTA-Based Coordination Polymer [Cu(H2EDTA)]n·H2O
Ruziev, Umid, Djumayeva, Zulkhumor, Toirova, Gulshoda, Kholturaev, Kuvonch, Ibragimov, Aziz, Balakrishnan, Chellakarungu, Ruziev, Umid, Djumayeva, Zulkhumor, Toirova, Gulshoda, Kholturaev, Kuvonch, Ibragimov, Aziz, Balakrishnan, Chellakarungu, Ruziev, Umid, Djumayeva, Zulkhumor, Toirova, Gulshoda, Kholturaev, Kuvonch, Ibragimov, Aziz, Balakrishnan, Chellakarungu
Аннотатсия
A new copper (II) coordination compound, [Cu (H2EDTA)]·H2O, was synthesized via slow evaporation from a mixed aqueous-DMF medium under controlled pH conditions. Single-crystal X-ray diffraction analysis revealed a six-coordinate copper (II) center surrounded by four oxygen and two nitrogen donor atoms from a partially deprotonated H2EDTA ligand, forming a distorted octahedral geometry. The crystallographic results confirmed the chelation of both carboxylate oxygen and amine nitrogen atoms to the Cu (II) ion. Fourier-transform infrared (FT-IR) and Raman spectroscopic studies supported the coordination mode by identifying characteristic asymmetric and symmetric stretching vibrations of coordinated carboxylate groups. The observed Δν (ν_asym-ν_sym) values indicate predominantly bidentate coordination of the carboxylate moieties. Metal-ligand vibrations in the low-frequency region further confirmed Cu-O and Cu-N bond formation. Bond Valence Sum (BVS) analysis yielded a value of 2.07, consistent with the +2 oxidation state of copper and supporting the structural data obtained from single-crystal analysis. Minor deviation from the ideal value reflects slight geometric distortion within the coordination sphere. Thermal behavior examined by TG-DTA demonstrated the presence of lattice water molecules and indicated stepwise decomposition of the coordinated framework. The combined crystallographic and spectroscopic investigations provide a comprehensive understanding of the coordination environment and bonding characteristics of the Cu(II)- H2EDTA system, contributing to the structural chemistry of EDTA-based copper complexes.
Copper(II) complexH2EDTA ligandSingle-crystal X-ray diffractionFT-IR spectroscopyRaman spectroscopyBond valence sum analysisCoordination geometryChelationКомплекс меди (II)H2EDTA лиганд
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