Theoretical study of electron, proton, and proton-coupled electron transfer in iron bi-imidazoline complexes

Keyphrases

• Proton 100%
• Proton-coupled Electron Transfer 100%
• Imidazoline 100%
• Electron Transfer 60%
• Solute 30%
• Proton Transfer 30%
• Solvent Reorganization Energy 30%
• Outer-sphere 20%
• Vibrational Wave Functions 20%
• Inner Sphere 10%
• Single Electron Transfer 10%
• Electronic Coupling 10%
• Rate Expression 10%
• Continuum Theory 10%
• Valence Bond 10%
• Electron Transfer Reaction 10%
• Fast Rates 10%
• Proton-proton 10%
• Small Overlap 10%
• Deuterium Isotope Effect 10%
• Proton Transfer Reaction 10%
• Kinetic Isotope Effect 10%
• Transfer Distance 10%
• Bond Model 10%
• Dielectric Continuum 10%
• Large Coupling 10%
• Hydrogen nuclei 10%
• Single Proton Transfer 10%
• Non-adiabatic Electron Tunneling 10%

Chemistry

• Electron Transport 100%
• Electron Transfer 100%
• Imidazoline 100%
• Proton Transfer 27%
• Reorganization Energy 16%
• Wave Function 11%
• Transfer Reaction 11%
• Kinetic Isotope Effect 11%
• Hydrogen 5%
• Deuterium(.) 5%
• Dielectric Material 5%
• Bond Model 5%