Effect of meta electron-donating groups on the electronic structure of substituted phenyl nitrenium ions

Keyphrases

• Electronic Structure 100%
• Nitrenium Ion 100%
• Electron-donating Groups 100%
• Triplet State 100%
• Substituted Phenyl 100%
• Low Energy 60%
• Triplet 60%
• Phenyl Ring 60%
• Arylnitrenium Ions 40%
• Singly Occupied Molecular Orbital 40%
• Coplanar 40%
• Bond Angle 40%
• Density Functional Theory 20%
• Electron Donor 20%
• Aromatic Ring 20%
• Spin Density 20%
• Singlet-triplet Splitting 20%
• Electron-withdrawing 20%
• Meta-substitution 20%
• Energy Gap 20%
• Equilibrium Geometry 20%
• Substituent Effect 20%
• Singlet State 20%
• Kohn-Sham Orbitals 20%
• Mulliken 20%
• Orbital Distribution 20%
• UB3LYP 20%
• Electron-donating Substituent 20%
• Triplet Energy 20%

Chemistry

• Electronic State 100%
• Triplet State Energy 100%
• Molecular Orbital 50%
• Triplet State 50%
• Bond Angle 50%
• Ground State 25%
• Band Gap 25%
• Donor 25%
• Electron Donor 25%
• Substituent Effect 25%
• Singlet State 25%
• Aromatic Structure 25%
• Density Functional Theory 25%