Synthesis, X-ray crystal structure and BVS calculation of Co(II) complex of pyrimidine derived Schiff base ligand: Approached by Hirshfeld surface analysis and TDDFT calculation
Kinsuk Das, Malay Dolai, Sudipta Chatterjee, Saugata Konar
Topics & Concepts
ChemistryTime-dependent density functional theoryDensity functional theoryCrystallographyIntermolecular forceSchiff baseCrystal structureLigand (biochemistry)MoleculeValence (chemistry)Computational chemistryOrganic chemistryReceptorBiochemistryMetal complexes synthesis and propertiesMetal-Organic Frameworks: Synthesis and ApplicationsMagnetism in coordination complexes