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 66%
• Solute 33%
• Proton Transfer 33%
• Solvent Reorganization Energy 33%
• Outer-sphere 22%
• Vibrational Wave Functions 22%
• Continuum Theory 11%
• Fast Rates 11%
• Bond Model 11%
• Proton-proton 11%
• Kinetic Isotope Effect 11%
• Valence Bond 11%
• Electronic Coupling 11%
• Rate Expression 11%
• Deuterium Isotope Effect 11%
• Large Coupling 11%
• Hydrogen nuclei 11%
• Proton Transfer Reaction 11%
• Single Electron Transfer 11%
• Inner Sphere 11%
• Small Overlap 11%
• Transfer Distance 11%
• Dielectric Continuum 11%
• Non-adiabatic Electron Tunneling 11%
• Single Proton Transfer 11%
• Proton-coupled Electron Transfer Reactions 11%

Chemistry

• Imidazoline 100%
• Electron Transport 100%
• Proton Transfer 29%
• Reorganization Energy 17%
• Kinetic Isotope Effect 11%
• Wave Function 11%
• Bond Model 5%
• Transfer Reaction 5%
• Dielectric Material 5%
• electronics 5%
• Electron Transfer 5%
• Deuterium 5%
• Hydrogen 5%