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首页> 外文期刊>Catalysis science & technology >Tunable selectivity of phenol hydrogenation to cyclohexane or cyclohexanol by a solvent-driven effect over a bifunctional Pd/NaY catalyst
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Tunable selectivity of phenol hydrogenation to cyclohexane or cyclohexanol by a solvent-driven effect over a bifunctional Pd/NaY catalyst

机译：可调苯酚的选择性加氢solvent-driven环己烷、环己醇通过双官能Pd /不催化剂的影响

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摘要

Hydrogenation of phenol is an important strategy to produce cyclohexane or cyclohexanol as both of them are raw materials for the synthesis of nylon-6 and nylon-66. Herein, we report a novel method for the selective hydrogenation of phenol to cyclohexane or cyclohexanol over a bifunctional Pd/NaY catalyst by regulating the solvent polarity. It was found that solvent polarity has a strong influence on the hydrogenation reaction mechanism. Under the identical conditions, 100% selectivity to cyclohexane could be obtained when reacting in n-octane (nonpolar solvent), while 92.3% selectivity to cyclohexanol was achieved in EtOH (polar solvent). The polarity of the solvent not only affects the competitive adsorption capacity but also the adsorption manner of phenol over the acid sites and the Pd nanoparticles in the Pd/NaY catalyst. DFT calculations show that different solvents have an almost negligible effect on the reaction energy barriers but highly affect the hydration reaction of cyclohexanol if the trace amount of water formed could not be timely removed from the catalytic system. This solvent-driven catalysis exhibits good recyclability, showing great promise for industrial applications. These findings not only provide new insights into the hydrogenation mechanism of phenolics, but also might help to develop facile strategies for the selective conversion of other phenolics into desired products.
机译：苯酚是一种重要的战略的加氢生产环己烷、环己醇的合成的原料尼龙6和尼龙- 66。苯酚的选择性加氢的方法在一个环己烷、环己醇双官能Pd /不通过调节催化剂溶剂极性。极性有很强的影响加氢反应机理。相同条件下,选择性为100%环己烷可以反应时获得的n-octane(非极性溶剂),而92.3%选择性在EtOH实现环己醇(极性溶剂)。只会影响竞争吸附能力而且苯酚的吸附的方式酸网站和Pd的钯纳米颗粒/不催化剂。溶剂影响几乎可以忽略不计反应能量障碍但高度影响如果跟踪环己醇的水化反应的水不能及时形成的从催化系统中删除。solvent-driven催化展品好再循环能力,表现出巨大的希望工业应用。提供新的见解加氢酚醛树脂的机理,还可能帮助发展的策略选择其他酚醛树脂转化为满意产品。

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