Substituent effects on the vibronic coupling for the phenoxyl/phenol self-exchange reaction

Keyphrases

• Bond Dissociation Enthalpy 10%
• Configuration Interaction Method 10%
• Coupling Properties 10%
• Electron Transfer Mechanism 10%
• Electron Transfer System 10%
• Electron-donating Groups 20%
• Electron-withdrawing Group 20%
• Electronic Orbital 10%
• Exchange Reaction 100%
• Grid-based 10%
• Hammett Constant 20%
• Ionization Potential 10%
• Non-adiabatic 10%
• Nonorthogonal Configuration Interaction 10%
• Nuclear Electronics 10%
• Observed Trends 10%
• Phenoxyl 100%
• Physical Insights 10%
• Physical Properties 10%
• Proton-coupled Electron Transfer 20%
• Redox Potential 10%
• Self-exchange 100%
• Substituent Effect 100%
• Vibronic Coupling 100%

Chemistry

• Configuration Interaction Methods 10%
• Dissociation Enthalpy 10%
• Electron Transfer 20%
• Electron Transport 20%
• Ionization Potential 10%
• Phenol 100%
• pKa 10%
• Redox Potential 10%
• Substituent Effect 100%
• Vibronic Coupling 100%