Abstract
Carboxylation of two free N-heterocyclic carbenes (NHCs) 1,3-dimesitylimidazol-2-yliden (IMes) and 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (IPr) with CO2 led to two adducts [IMes:CO2] and [IPr:CO2], which were further reacted with TaCl5 to afford the finial metal complexes [(IMes:CO2)TaCl5] (1) and [(IPr:CO2)2TaCl3][TaCl6]2 (2), respectively. NMR spectroscopy, elemental analysis and single crystal X-ray diffraction proved that the carboxylate groups were retained in complexes 1 and 2. Crystallography revealed that the metal centers in complexes 1 and 2 adopted the distorted octahedral and pentagonal bipyramidal geometries, respectively, in which complex 1 was constructed with one [IMes:CO2] adducts, while complex 2 with two [IPr:CO2] adducts. In addition, the catalytic properties of complexes 1–2 on the cycloaddition between CO2 and propylene oxide to synthesize cyclic carbonate at the mild condition were investigated.
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