P-induced electron transfer interaction for enhanced selective hydrogenation rearrangement of furfural to cyclopentanone  

作　　者：Weichen Wang Hongke Zhang Yidan Wang Fangyuan Zhou Zhiyu Xiang Wanbin Zhu Hongliang Wang 

机构地区：[1]Center of Biomass Engineering,College of Agronomy and Biotechnology,China Agricultural University,Beijing 100193,China

出　　处：《Journal of Energy Chemistry》2024年第5期43-51,共9页能源化学（英文版）

基　　金：supported by the National Key R&D Program of China(2023YFD1701504);the 2115 Talent Development Program of China Agricultural University Fund(1011-00109018);the Beijing Innovation Team of the Modern Agricultural Research System(BAIC08-2023-FQ02)。

摘　　要：Optimizing the intrinsic activity of non-noble metal by precisely tailoring electronic structure offers an appealing way to construct cost-effective catalysts for selective biomass valorization.Herein,we reported a P-doping bifunctional catalyst(Ni-P/mSiO_(2))that achieved 96.6%yield for the hydrogenation rearrangement of furfural to cyclopentanone at mild conditions(1 MPaH_(2),150°C).The turnover frequency of Ni-P/mSiO_(2)was 411.9 h^(-1),which was 3.2-fold than that of Ni/mSiO_(2)(127.2 h^(-1)).Detailed characterizations and differential charge density calculations revealed that the electron-deficient Niδ+species were generated by the electron transfer from Ni to P,which promoted the ring rearrangement reaction.Density functional theory calculations illustrated that the presence of P atoms endowed furfural tilted adsorb on the Ni surface by the C=O group and facilitated the desorption of cyclopentanone.This work unraveled the connection between the localized electronic structures and the catalytic properties,so as to provide a promising reference for designing advanced catalysts for biomass valorization.

关 键 词：FURFURAL Hydrogenation rearrangement P-DOPING Electron transfer Biomass valorization 

分 类 号：TQ426[化学工程] TQ234.2