The origin of the high reactivity of triazolinediones (TADs) in Diels-Alder reactions from a theoretical perspective

Keyphrases

• High Reactivity 100%
• Diels-Alder Reaction 100%
• Triazolinediones 100%
• Cycloaddition 40%
• Maleimide 40%
• Activation Strain Model 40%
• M06-2X 40%
• Transition State 20%
• Transition State Structure 20%
• Energy Barrier 20%
• Frontier Molecular Orbitals 20%
• Dienophile 20%
• Low Distortion 20%
• Efficient Charge Transfer 20%
• Molecular Orbital Theory 20%
• Anthracene 20%

Chemistry

• Diels-Alder Reaction 100%
• Transition State 50%
• Transition State Structure 50%
• Ab Initio Calculation 50%
• Energy Barrier 50%
• Frontier Orbital 50%
• Anthracene 50%