Inserting CO2 into Terminal Alkynes via Bis-(NHC)-Metal Complexes

被引：31

作者：

Diaz Velazquez, Heriberto ^{[1
,2
]}

Wu, Zhao-Xuan ^{[3
]}

Vandichel, Matthias ^{[4
]}

Verpoort, Francis ^{[1
,5
,6
,7
]}

机构：

[1] Univ Ghent, Global Campus Songdo,119 Songdomunhwa Ro, Incheon, South Korea

[2] Inst Mexicano Petr, Gerencia Refinac Hidrocarburos, Direcc Invest Transformac Hidrocarburos, Eje Cent Lazaro Cardenas 152, Mexico City 07730, DF, Mexico

[3] Wuhan Univ Technol, Sch Mat Mat Sci & Engn, Ctr Chem & Mat Engn, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China

[4] Univ Ghent, Ctr Mol Modeling, Technol Pk 903, B-9052 Zwijnaarde, Belgium

[5] Wuhan Univ Technol, Ctr Chem & Mat Engn, Lab Organometall Catalysis & Ordered Mat, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China

[6] Wuhan Univ Technol, Sch Chem Chem Engn & Life Sci, Wuhan 430070, Peoples R China

[7] Natl Res Tomsk Polytech Univ, Lenin Ave 30, Tomsk 634050, Russia

来源：

CATALYSIS LETTERS | 2017年 / 147卷 / 02期

关键词：

Carboxylation; Terminal alkyne; N-Heterocyclic carbene; Homogeneous catalysis; DFT; C-H BONDS; CARBON-DIOXIDE; CATALYZED CARBOXYLATION; CLICK CHEMISTRY; PROPIOLIC ACID; SILVER; HYDROCARBOXYLATION; ACCESS; AMINES;

D O I：

10.1007/s10562-016-1920-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The direct interaction between CO2 and terminal alkynes in the presence of bis-(NHC)-metal catalysts at ambient conditions was studied. Two Cu and Ag-based bis-N-heterocyclic carbene Transition Metal catalysts were synthesized. The (NHC)(2)-Ag complex showed a better catalytic performance towards the carboxylation of terminal alkynes in comparison with the copper analogue even for the conversion of acetylene gas. The optimized conditions for the carboxylation are: the use of Cs2CO3 as additive, one atmosphere CO2 and room temperature using 1% mol catalyst. Mechanistic insight into the reaction mechanism is obtained by means of state-of-the-art first principles calculations. [GRAPHICS] .

引用

页码：463 / 471

页数：9

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