Bergman, Aza-Bergman, and protonated Aza-Bergman cyclizations and intermediate 2,5-arynes: Chemistry and challenges to computation

Keyphrases

• Bergman 100%
• Bergman Cyclization 100%
• Aryne Chemistry 100%
• Singlet-triplet Splitting 75%
• Pyridynes 75%
• Retro 50%
• 1,5-diyne 50%
• Arynes 50%
• Electronic Structure Theory 25%
• Reaction Coordinate 25%
• CCSD(T) 25%
• Hydrogen Atom 25%
• Isomeric 25%
• Protonation 25%
• Low Symmetry 25%
• Biradical Character 25%
• All-carbon 25%
• Brueckner Orbitals 25%
• Correlated Electronics 25%

Chemistry

• Chemistry 100%
• Bergman Cycloaromatization 100%
• Aryne 100%
• Singlet-Triplet Splitting 50%
• Electronic State 16%
• CCSD 16%
• Hydrogen Atom 16%
• protonation 16%