Theoretical Evidence of Solvent-Mediated Excited-State Dynamics in a Functionalized Iron Sensitizer

Chemistry

• Acetonitrile 33%
• Carbene 33%
• Charge Transfer State 33%
• Computer Simulation 33%
• Electron Transfer 33%
• Electron Transport 33%
• Excited State 100%
• Imidazole 33%
• Intersystem Crossing [Singlet->triplet] 33%
• Quantum Dynamics 33%
• Relaxation 33%
• Time-Dependent Density Functional Theory 33%

Keyphrases

• Back Electron Transfer 50%
• Reorganization Processes 50%