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首页> 外文期刊>Catalysis science & technology >Ni and Zn N-confused porphyrin complexes as recyclable catalysts for high efficiency solvent-free CO2 fixation into cyclic carbonates
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Ni and Zn N-confused porphyrin complexes as recyclable catalysts for high efficiency solvent-free CO2 fixation into cyclic carbonates

机译：镍和锌N-confused卟啉配合物可回收的催化剂效率高无溶剂二氧化碳固定环碳酸盐

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摘要

We designed versatile homogeneous catalysts for the solvent-free fixation of CO2 with epoxides into cyclic carbonates based on the structure of Ni or Zn N-confused tetraphenylporphyrin (NCTPP), in which the outer nitrogen was modified with trimethylammonium bromide. The metal center acted as a Lewis acid whereas the bromide group acted as a nucleophile facilitating the double activation of the epoxide. A turnover number (TON) of up to 70 000 was achieved without a co-catalyst. Meanwhile, in the presence of tetrabutylammonium bromide (TBAB), a co-catalyst, the turnover frequency (TOF) and TON reached up to 370 000 h(-1) and 1.3 x 10(6), respectively, using a moderate CO2 loading of 1.0 MPa. Theoretical calculations revealed that the Zn complex had superior catalytic activity due to its better ability to stabilize the nucleophilic oxygen of the substrate as evidenced by its high global electrophilicity index (GEI) and by reactivity predictors, including the orbital-weighted Fukui indices and dual descriptor. Lastly, the Zn complex was also demonstrated to be re-usable for up to four runs for the formation of glycerol carbonate from the fixation of CO2 with glycidol.
机译：我们设计了通用的齐次的催化剂二氧化碳与环氧化合物的无溶剂固定进入循环碳酸盐结构的基础上镍或锌N-confused tetraphenylporphyrin (NCTPP),外的氮被修改trimethylammonium溴离子。作为路易斯酸溴化而行动作为亲核试剂促进双环氧的激活。(吨)70 000是没有实现co-catalyst。co-catalyst四丁铵溴化(TBAB),周转频率(TOF)和吨到达370 000 h(1)和1.3 x 10(6),分别使用温和的二氧化碳加载1.0 MPa。理论计算表明,锌复杂的有优越的催化活性是由于它的更好的稳定亲核的能力氧气的衬底是它的高全球亲电性指数(基)反应性预测因子,包括orbital-weighted福井指数和双描述符。证明是可重用的四分甘油碳酸盐岩的形成的用缩水甘油固定二氧化碳。

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