The Mechanism of Iron(II)-Catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study.

Density functional theory (DFT), combined with the artificial force-induced reaction (AFIR) method, is used to establish the mechanism of the aqueous Mukaiyama aldol reactions catalyzed by a chiral Fe(II) complex. On the bases of the calculations, we identified several thermodynamically stable six-...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 137; no. 34; pp. 11085 - 11095
Main Authors:	Sameera, W. M. C., Miho Hatanaka, Taku Kitanosono, Shũ Kobayashi, Keiji Morokuma
Format:	Article
Published:	American Chemical Society 9/2/2015
Subjects:	Iron catalysts Aldols Density functional theory Induced reactions (Chemistry) Aqueous solutions
Online Access:	View this record in EBSCOhost