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- Title
Metallocarbenes as Substituents in 8‐Electron Electrocyclizations.
- Authors
Cao, Yumeng; Kong, Wang‐Yeuk; DeSnoo, William; Tantillo, Dean J.
- Abstract
Density functional theory was used to elucidate the mechanism and the pericyclicity of chromium‐catalyzed bicyclization reactions that purportedly involve 8‐electron electrocyclization steps. Our computational results indicate that these reactions do indeed proceed via 8‐electron electrocyclization rather than an alternative pathway involving 4‐electron electrocyclization followed by Cope rearrangement. The role of C=[M] groups on the electrocyclization, specifically its pericyclicity, was examined in detail using modern theoretical tools.
- Subjects
DENSITY functional theory; RING formation (Chemistry)
- Publication
European Journal of Organic Chemistry, 2024, Vol 27, Issue 7, p1
- ISSN
1434-193X
- Publication type
Article
- DOI
10.1002/ejoc.202301183