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inserting co2 into terminal alkynes via bis-(nhc)-metal complexes
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نویسنده
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velázquez heriberto díaz ,wu zhao-xuan ,vandichel matthias ,verpoort francis
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منبع
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catalysis letters - 2017 - دوره : 147 - شماره : 2 - صفحه:463 -471
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چکیده
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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.
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کلیدواژه
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carboxylation ,terminal alkyne ,n-heterocyclic carbene ,homogeneous catalysis ,dft
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آدرس
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ghent university, global campus songdo, south korea. instituto mexicano del petróleo, méxico, wuhan university of technology, school of materials, center for chemical and material engineering, state key laboratory of advanced technology for materials synthesis and processing, china, ghent university, center for molecular modeling, belgium, ghent university, global campus songdo, south korea. wuhan university of technology, center for chemical and material engineering, school of chemistry, laboratory of organometallics, state key laboratory of advanced technology for materials synthesis and processing, china. national research tomsk polytechnic university, russia
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Authors
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