DFT investigations of linear Zn3-type complex with compartmental N/O-donor Schiff base: Synthesis, characterizations, crystal structure, fluorescence and molecular docking
Dhrubajyoti Majumdar, Tapan K. Pal, Dheeraj K. Singh, Deepak K. Pandey, Debaprasad Parai, Kalipada Bankura, Dipankar Mishra
Topics & Concepts
ChemistryCrystallographyHOMO/LUMOSchiff baseHyperpolarizabilityPolarizable continuum modelDensity functional theorySquare pyramidal molecular geometryMoleculeCrystal structureStereochemistryPolarizabilityComputational chemistrySolvationOrganic chemistryMetal complexes synthesis and propertiesNonlinear Optical Materials ResearchCrystal structures of chemical compounds