Conical intersections induced by repulsive ¹πσ* states in planar organic molecules: Malonaldehyde, pyrrole and chlorobenzene as photochemical model systems

Keyphrases

• Chlorobenzene 100%
• Organic Molecules 100%
• Pyrrole 100%
• Conical Intersection 100%
• Malonaldehyde 100%
• Photochemical Modeling 100%
• Heteroatom 33%
• Reaction Pathway 33%
• Ab Initio Calculations 33%
• Photochemistry 33%
• Excited States 33%
• Common Phenomena 33%
• Potential Energy Profile 33%
• Singlet State 33%
• Out-of-plane Mode 33%
• Reaction Potential 33%
• Reaction Coordinate 33%
• Planar System 33%
• Surface Crossing 33%

Chemistry

• Organic Molecule 100%
• Malonaldehyde 100%
• Chlorobenzene 100%
• Pyrrole 100%
• Heteroatom 50%
• Ground State 50%
• Ab Initio Calculation 50%
• Reaction Path 50%
• Excited State 50%
• Singlet State 50%
• Potential Energy 50%
• Photochemical Reaction 50%
• electronics 50%