DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex
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منابع مشابه
DFT study of the asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex
We report the mechanism of asymmetric nitroaldol (Henry) reaction catalyzed by a dinuclear Zn complex using density functional theory. The experimentally proposed catalytic cycle is validated, in which the first step is the deprotonation of nitromethane by the ethyl anion of the catalyst, subsequently a C-C bond formation step, and then the protonation of the resulting alkoxide. Three mechanist...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2009
ISSN: 0192-8651,1096-987X
DOI: 10.1002/jcc.21422