Regioselectivity of non-Symmetrical Borylated Dienes via EnT Ca-talysis: Unveiling the Relationship between Structure and Reactivity DOI Creative Commons
Hao Fang,

Alejandro García-Eguizábal,

Constantin G. Daniliuc

et al.

Published: Aug. 16, 2024

Energy transfer catalysis (EnT) has had a profound impact on contemporary organic synthesis enabling the construction of higher in energy, complex molecules, via efficient access to triplet excited state. Despite this, intermolecular reactivity, and unique possibility several reaction pathways central diradical rendered control over outcomes, an intractable challenge. Extended chromophores such as non-symmetrical dienes have potential undergo 2+2 cycloaddition, 4+2 cycloaddition or geometric isomerization, which, combination with other mechanistic considerations (site- regioselectivity), results chemical reactions that are challenging regulate. Leveraging spin density predictive tool, use core functionality can be adequately tuned potentially modulate would highly revealing intimate links between structure EnT induced reactivity. Herein, we utilize boron tool explore reactivity under catalysis, paying particular attention hybridization effects target Through site- regioselective was realized employed motif effecting efficiency. Reaction divergence enable achieved, while counterintuitive regiodivergence observed isomerization versus cycloaddition. The validated in-depth investigation determining origin competing processes

Language: Английский

Regioselectivity of non-Symmetrical Borylated Dienes via EnT Ca-talysis: Unveiling the Relationship between Structure and Reactivity DOI Creative Commons
Hao Fang,

Alejandro García-Eguizábal,

Constantin G. Daniliuc

et al.

Published: Aug. 16, 2024

Energy transfer catalysis (EnT) has had a profound impact on contemporary organic synthesis enabling the construction of higher in energy, complex molecules, via efficient access to triplet excited state. Despite this, intermolecular reactivity, and unique possibility several reaction pathways central diradical rendered control over outcomes, an intractable challenge. Extended chromophores such as non-symmetrical dienes have potential undergo 2+2 cycloaddition, 4+2 cycloaddition or geometric isomerization, which, combination with other mechanistic considerations (site- regioselectivity), results chemical reactions that are challenging regulate. Leveraging spin density predictive tool, use core functionality can be adequately tuned potentially modulate would highly revealing intimate links between structure EnT induced reactivity. Herein, we utilize boron tool explore reactivity under catalysis, paying particular attention hybridization effects target Through site- regioselective was realized employed motif effecting efficiency. Reaction divergence enable achieved, while counterintuitive regiodivergence observed isomerization versus cycloaddition. The validated in-depth investigation determining origin competing processes

Language: Английский

Citations

1