AI Article Synopsis
- The study examines how certain types of arenes (aromatic compounds) react in Diels-Alder reactions, particularly focusing on dearomatization, which is the process of losing aromatic character.
- It finds that substituted arenes and η-arenes have high energy barriers for cycloaddition, making them less reactive.
- However, once these arenes undergo significant dearomatization, they can have much lower energy barriers (around 20 kcal/mol or less) for the [4 + 2] cycloaddition, indicating enhanced reactivity.
Article Abstract
Computed gas-phase reaction profiles for Diels-Alder reactions, nucleus-independent chemical shifts, and bonding analyses for substituted and metal complexed, η-, η-, η-coordinated arenes reveal that dearomatization is necessary for arenes to exhibit ene- and diene-like reactivity. Substituted arenes and η-arenes exhibit high free energy barriers towards cycloaddition reactions, but strongly dearomatized η- and η-arenes can display low free energy barriers (∼20 kcal mol or less) for [4 + 2] cycloaddition reactions.
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|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11472341 | PMC |
| http://dx.doi.org/10.1039/d4sc05337k | DOI Listing |
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