Mononuclear Zn^II complex of a hexadentateiminophenolate-based O,O,N,N,O,O ligand: Experimental and theoretical vision

Keyphrases

• Three-dimensional (3D) 100%
• Zn(II) 100%
• Zn(II) Complex 100%
• Oxygen Atom 100%
• O Ligands 100%
• Charge Transfer 50%
• Functional Analysis 50%
• Electron Distribution 50%
• Tert-butyl 50%
• Two Dimensional 50%
• Density Functional Theory 50%
• Photoluminescence 50%
• Electron Localization 50%
• Energy Levels 50%
• Methyl 50%
• Nitrogen Atom 50%
• Square Pyramidal 50%
• Stokes Shift 50%
• Highest Occupied Molecular Orbital 50%
• Charge Distribution 50%
• Imines 50%
• Geometrical Parameters 50%
• Lowest Unoccupied Molecular Orbital 50%
• Molecular Surface 50%
• B3LYP 50%
• Molecular Electrostatic Potential 50%
• Ethoxy 50%
• Phenoxy 50%
• Mononuclear Complexes 50%
• Molecular Docking Analysis 50%
• Phenolate 50%
• Chemical Attack 50%
• Ether Oxygen 50%
• Hirshfeld Surface Analysis 50%
• Molecular Electrostatic Potential Surface 50%
• Fukui 50%
• Coordination Geometry 50%
• Electron Localization Function 50%
• Biological Investigations 50%
• Potential Surface Analysis 50%
• PI-based 50%

Chemistry

• Electron Localization 100%
• Electrostatic Potential 100%
• Oxygen Atom 100%
• Photoluminescence 50%
• Nitrogen Atom 50%
• Highest Occupied Molecular Orbital 50%
• Charge Distribution 50%
• Lowest Unoccupied Molecular Orbital 50%
• Electron Configuration 50%
• DFT-B3LYP Calculation 50%
• Surface Analysis 50%
• Phenolate 50%
• Molecular Surface 50%
• Imine 50%
• Density Functional Theory 50%
• Molecular Docking 50%
• Hirshfeld Surface Analysis 50%