Mechanism of co-dimerization of vinylboronates with terminal alkynes catalyzed by ruthenium-hydride complex

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Faculty of Chemistry, Adam Mickiewicz University in Poznań, Umultowska 89b, Poznań [1 ]
61-614, Poland
不详 [2 ]
61-614, Poland
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来源：
J. Mol. Catal. A Chem. | / 239-244期
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Hydrocarbons - Ruthenium compounds - Activation energy - Catalysis - Density functional theory;
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摘要：
The co-dimerization reaction of vinylboronates with terminal alkynes, which was discovered in our group, is an efficient method for the synthesis of boryl- and borylsilylsubstituted buta-1,3-dienes. This study is a continuation of our previous and present results concerning the mechanism of this new catalytic reaction in boron chemistry. DFT calculations, as well as kinetic measurements carried out at several different temperatures in the range of 70-100 °C, provided rational grounds for the mechanism proposed previously on basis of stoichiometric reactions monitored by 1H NMR. The activation energy and the rate determining step were also estimated. © 2014 Elsevier Ltd. All rights reserved.
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