A Computational Study of Photoinduced Borylation for Selected Boron Sources DOI Creative Commons

Ka Wa Fan,

Hoi Ling Luk, David Lee Phillips

и другие.

ChemistryOpen, Год журнала: 2024, Номер 13(7)

Опубликована: Март 8, 2024

Abstract This research article uses density functional theory (DFT) to study photoinduced borylation. work examined the electron donor‐acceptor complex (EDA) of bis(catecholato)diboron with different redox‐active leaving groups and bis(pinacol)diboron aryl N‐hydroxyphthalimide. The results these DFT studies show ratio B 2 cat N, N‐dimethylacetamide (DMA) should be 1 : which is consistent experimental in literature. We further proposed a reaction mechanism calculated energies associated each step.

Язык: Английский

A Computational Study of Photoinduced Borylation for Selected Boron Sources DOI Creative Commons

Ka Wa Fan,

Hoi Ling Luk, David Lee Phillips

и другие.

ChemistryOpen, Год журнала: 2024, Номер 13(7)

Опубликована: Март 8, 2024

Abstract This research article uses density functional theory (DFT) to study photoinduced borylation. work examined the electron donor‐acceptor complex (EDA) of bis(catecholato)diboron with different redox‐active leaving groups and bis(pinacol)diboron aryl N‐hydroxyphthalimide. The results these DFT studies show ratio B 2 cat N, N‐dimethylacetamide (DMA) should be 1 : which is consistent experimental in literature. We further proposed a reaction mechanism calculated energies associated each step.

Язык: Английский

Процитировано

1