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RESEARCH PRODUCT
Synthesis, structure, physicochemical characterization and theoretical evaluation of non-covalent interaction energy of a polymeric copper(II)-hydrazone complex
Carlos J. Gómez-garcíaAntonio FronteraDipali SadhukhanEugenio GarribbaAntonio BauzáMonami MaitiMonami Maitisubject
chemistry.chemical_classificationThiocyanateChemistryLigandHydrazoneInteraction energylaw.inventionInorganic Chemistrychemistry.chemical_compoundCrystallographylawMaterials ChemistryMoleculePhysical and Theoretical ChemistryCyclic voltammetryElectron paramagnetic resonanceSingle crystaldescription
Abstract One dimensional polymeric copper-hydrazone complex {[Cu(H0.5L)(µ1,3-SCN)]0.5ClO4·0.5MeOH}n (1) has been synthesized with Cu(ClO4)2·xH2O and N'-(1-(pyridin-2-yl)ethylidene)acetohydrazide (HL) in presence of NaSCN. The ligand and the complex have been characterized by several spectroscopic techniques (IR, UV–Vis and EPR), cyclic voltammetry and the structure of 1 has been determined by single crystal X-ray diffraction. The complex is an infinite one dimensional polymer bridged by thiocyanate. The magneto-structural correlation has been determined and the non-covalent interactions present in the molecule have been energetically evaluated by means of DFT calculations.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2019-01-01 | Inorganica Chimica Acta |