2O 3(NTA) 2] 4? unit with [Ce(H 2O) 9] 3+: Synthesis, structure, luminescent, magnetic properties and TD-DFT calculation]]>

摘要

Graphical abstractThe complex, (H3O)[Ce(H2O)9][V2O3L2] {H3L=nitrilotriacetic acid} has been synthesized using polycarboxylic acid ligand and structurally characterized by single crystal X-ray diffraction. The complex shows interesting luminescent and magnetic properties. The origin of the luminescence has been studied by TD-DFT calculation.Display OmittedAbstractThe complex, (H3O)[Ce(H2O)9][V2O3L2] {L=nitrilotriacetate} has been synthesized using polycarboxylic acid ligand and structurally characterized by single crystal X-ray crystallography. The single-crystal structure shows that it forms hydrogen-bonded 3D network in the solid-state. The complex exhibits characteristic d–f transition luminescence of the Ce(III) ion. The occurrence of the luminescence has been studied by TD-DFT calculation. The magnetic properties for the [V(IV)–O–V(IV)] core have been investigated which demonstrate antiferromagnetic interactions between the two vanadium(IV) centers.