Synthesis, characterization and relativistic DFT studies of fac-Re(CO)₃(isonicotinic acid)₂Cl complex

Keyphrases

• DFT Study 100%
• TD-DFT Calculations 100%
• Relativistic DFT 100%
• Isonicotinic Acid 100%
• Single Crystal X-ray Diffraction (SCXRD) 50%
• Elemental Analysis 50%
• Electronic Transitions 50%
• UV-Vis Spectra 50%
• Absorption Bands 50%
• DFT Calculations 50%
• UV-VIS Spectroscopy 50%
• Spectroscopic Techniques 50%
• Excitation Energy 50%
• Natural Bond Orbital 50%
• Bonding Interactions 50%
• Intramolecular Charge Transfer 50%
• LMCT Transition 50%
• Orbital Approach 50%

Chemistry

• Density Functional Theory 100%
• UV/VIS Spectroscopy 100%
• Isonicotinic Acid 100%
• Structure 50%
• NMR Spectroscopy 50%
• Elemental Analysis 50%
• Single Crystal X-Ray Diffraction 50%
• Electronic Transition 50%
• Natural Bond Orbital 50%
• Molecular Charge 50%