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Mechanism, reactivity, and selectivity of the iridium-catalyzed C(sp(3))–H borylation of chlorosilanes

The iridium-catalyzed C(sp(3))–H borylation of methylchlorosilanes is investigated by means of density functional theory, using the B3LYP and M06 functionals. The calculations establish that the resting state of the catalyst is a seven-coordinate Ir(v) species that has to be converted into an Ir(iii...

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Shranjeno v:
Bibliografske podrobnosti
izdano v:Chem Sci
Main Authors: Huang, Genping, Kalek, Marcin, Liao, Rong-Zhen, Himo, Fahmi
Format: Artigo
Jezik:Inglês
Izdano: Royal Society of Chemistry 2015
Teme:
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC5644124/
https://ncbi.nlm.nih.gov/pubmed/29163873
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c4sc01592d
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