The selective hydrogenolysis of C-OH in renewable furanic compounds to corresponding high-value products has been attractive yet challenging, and the mechanism remains vague. Herein, a non-noble catalyst (Ni-TT-Nb₂O₅) was prepared to address this challenge. Batch and continuous reaction results show that Ni-TT-Nb₂O₅ can selectively hydrodeoxygenate 5-hdyroxymethylfurfural to 5-methylfurfural with a very high selectivity of 99%. Moreover, Ni-TT-Nb₂O₅ can also selectively hydrodeoxygenate various furanic, benzenoid and aliphatic alcohols, achieving up to > 95% selectivity. In-situ FTIR and DFT calculations showed that compared with other Ni-supported (supports = Al₂O₃, CeO₂, SiO₂, ZrO₂) catalysts, HMF was adsorbed on Ni-TT-Nb₂O₅ surface via parallel mode exclusively, and the C-OH bond was easier to be activated. This work therefore explained the mechanism of selective hydrogenolysis of C-OH in HMF over Ni-TT-Nb₂O₅, and offered an advanced approach for the upgrading of C-OH-containing furanic compounds as well as benzenoid and aliphatic alcohols.

中文翻译：

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Ni-TT-Nb2O5 生物质衍生呋喃化合物中 C-OH 键的选择性吸附和氢解


可再生呋喃化合物中的 C-OH 选择性氢解成相应的高价值产品一直很有吸引力，但也具有挑战性，并且机制仍然模糊。在此，制备了一种非惰性催化剂 （Ni-TT-Nb₂O₅） 来应对这一挑战。批量和连续反应结果表明，Ni-TT-Nb₂O₅ 可以选择性地将 5-二氧基甲基糠醛加氢脱氧为 5-甲基糠醛，选择性高达 99%。此外，Ni-TT-Nb₂O₅ 还可以选择性地对各种呋喃醇、苯类醇和脂肪醇进行氢脱氧，实现高达 > 95% 的选择性。原位FTIR 和 DFT 计算表明，与其他 Ni 负载 （载体 = Al₂O₃， CeO₂， SiO₂， ZrO₂） 催化剂相比，HMF 仅通过平行模式吸附在 Ni-TT-Nb₂O₅ 表面，并且 C-OH 键更容易被激活。因此，这项工作解释了 HMF 中 C-OH 在 Ni-TT-Nb₂O₅ 上的选择性氢解机制，并为含 C-OH 的呋喃化合物以及苯类和脂肪醇的升级提供了一种先进的方法。