DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions

The mechanism of the full catalytic cycle for Fe-chiral-bisphosphine-catalyzed cross-coupling reaction between alkyl halides and Grignard reagents (Nakamura and co-workers, J. Am. Chem. Soc. 2015, 137, 7128) was rationalized by using density functional theory (DFT) and multicomponent artificial forc...

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Veröffentlicht in:	Journal of the American Chemical Society 2017-11, Vol.139 (45), p.16117-16125
Hauptverfasser:	Sharma, Akhilesh K, Sameera, W. M. C, Jin, Masayoshi, Adak, Laksmikanta, Okuzono, Chiemi, Iwamoto, Takahiro, Kato, Masako, Nakamura, Masaharu, Morokuma, Keiji
Format:	Artikel
Sprache:	eng
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