Manganese-salen complexes as oxygen-transfer agents in catalytic epoxidations - A density functional study of mechanistic aspects

Chemistry

• Density Functional Theory 100%
• Epoxidation 100%
• Manganese 100%
• Salen 100%
• Energetics 50%
• Spin State 50%
• Triplet State 50%
• Ethylene 50%
• Oxo Group 50%
• Jacobsen Epoxidation 50%
• Donor 50%

Keyphrases

• Density Functional Study 100%
• Catalytic Epoxidation 100%
• Salen-manganese Complexes 100%
• Applications of Density Functional Theory 25%
• Neutral Catalyst 25%
• Orbital Analysis 25%
• Two-state Reactivity 25%
• Model Catalyst 25%
• Quintet State 25%
• Quintet 25%

Biochemistry, Genetics and Molecular Biology

• Epoxidation 100%
• Energy Transfer 33%
• Ethylene 33%
• Rigidity 33%