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Homogenous Dual-Ligand Zinc Complex Catalysts for Chemical Fixation of CO2 to Propylene Carbonate

机译:均相双配体锌络合物催化剂用于将CO2化学固定为碳酸丙烯酯

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Homogeneous dual-ligand zinc complex catalysts was developed for the synthesis of propylene carbonate (PC) through chemical fixation of CO2. It was found that among a number of various pK (a) N-donor ligands, the catalytic performance was enhanced dramatically and the corrosion of the reaction system was effectively inhibited when 1-methylimidazol (1MI) was used as the N-donor ligand, in which > 90 % PC yield could be obtained under mild reaction conditions. The dual-ligand zinc complex catalysts were characterized by various spectroscopic techniques such as FT-IR and (HNMR)-H-1. X-ray crystallography showed that the Zn(II) atom was coordinated in tetrahedron geometry by three bromine atom, one 1MI nitrogen atom, and one crystallographically independent cation to give a 3D tetrahedron structure, which forms tetracoordinated complexes. The structure of the complex gives the reasons for the enhancement of the catalytic activity from the microscopic molecular structure point of an extremely long and therefore labile Zn-Br bond, the diversification of the bond angles, and the interplay between the steric hindrance, which have great influence on the interaction forces of Zn-Br.
机译:开发了均相双配体锌络合物催化剂,用于通过化学固定CO2合成碳酸亚丙酯(PC)。研究发现,当使用1-甲基咪唑(1MI)作为N-供体配体时,在许多不同的pK(a)N-供体配体中,催化性能得到显着增强,反应体系的腐蚀得到有效抑制,在温和的反应条件下可获得> 90%的PC收率。通过多种光谱技术,例如FT-IR和(HNMR)-H-1,对双配体锌络合物催化剂进行了表征。 X射线晶体学表明Zn(II)原子通过三个溴原子,一个1MI氮原子和一个在晶体学上独立的阳离子在四面体几何结构上进行配位,从而形成3D四面体结构,形成四配位配合物。配合物的结构从极长的,因此不稳定的Zn-Br键的微观分子结构点,键角的多样化以及位阻之间的相互作用等方面提供了提高催化活性的原因。对Zn-Br相互作用力的影响很大。

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