ArticleThe Journal of organic chemistry2026
A Computational/Experimental Investigation into the Reversibility of [6+4]/[4+2] Cycloadditions with Tropone Derivatives.
Article in The Journal of organic chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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Who cites it
1 citing paper in PubMed.
- A Computational/Experimental Investigation into the Reversibility of [6+4]/[4+2] Cycloadditions with Tropone Derivatives.The Journal of organic chemistry · 2026Article
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Authors and funding
9 authors.
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No grant is acknowledged in the PubMed record.
Abstract
While the thermoreversibility of furan-maleimide Diels-Alder adducts has been widely employed in dynamic polymer networks, the susceptibility of furans and maleimides to engage in irreversible side reactions motivated our investigations into other dynamic cycloaddition reactions. Although [6+4] pericyclic reactions of tropone derivatives and dienes have been investigated since the mid-1960s, little work has looked at the factors that may affect the energy barriers of both the forward and reverse reactions. In this work, we use DFT calculations and experimental analyses to examine the cycloaddition reactions of tropone derivatives with dienes. We find that DFT calculations at the M06-2X(D3)/6-31G(d) level of theory are in good agreement with experimentally derived values of ΔG
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