Lanthanide-carbamazepine complexes: synthesis, spectroscopic characterization, DFT Insights, molecular docking, and biological evaluation.

ABSTRACT: This work focuses on the synthesis of four novel lanthanide complexes: La (III), Ce (III), Nd (III), and Dy (III) with carbamazepine (CBZ). The geometric structural and bonding mode of synthesized complexes were accomplished by various analytical and spectroscopic techniques and the data reveal that the novel complexes have a 1:2 (Ln³⁺:CBZ) electrolytes with general formula [Ln(CBZ)₂(H₂O)Cl]Cl₂.H₂O and molecular weight: 753.83, 791.07, 777.19 and 777.43 for Ln³⁺ complexes respectively. The spectral studies investigated that CBZ interacts as a bidentate ligand via the amide group's nitrogen and oxygen atoms in its moiety, and the geometric octahedral structure was confirmed by density function theory. On the other hand, PXRD

SUBMITTER: Mohamed NS 

PROVIDER: S-EPMC12905177 | biostudies-literature | 2026 Feb

REPOSITORIES: biostudies-literature