可见光下双金属协同pd - sm -卟啉金属-有机骨架上四氢糠醇的光催化氧化

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-07-24 DOI:10.1021/acs.inorgchem.5c01808

Zhiquan Cai,Guangjie Hu,Xiao-Xuan Li,Yi-Si Feng

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引用次数: 0

摘要

利用低能耗方法将生物质资源有效地转化为有价值的化学品是促进可持续发展的一种有希望的方法。介绍了一种新型三维卟啉金属有机骨架（PMOF），用于四氢糠醇（THFA）生物质转化为γ-丁内酯（BLT）。将Pd2+引入单金属Sm-PMOFs的卟啉环中心，双金属的协同作用大大增强了光响应能力，实现了卟啉阻断有机物中光生电子与空穴的有效分离，解决了传统光催化剂的固有缺陷。此外，通过密度泛函理论（DFT）计算，提出了精确的反应机理，从而使THFA转化为BLT更具可控性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Photocatalytic Oxidation of Tetrahydro Furfuryl Alcohol over Bimetallic Synergistic Pd-Sm-Porphyrin Metal-Organic Framework under Visible Light.

The efficient transformation of biomass resources into valuable chemicals by using low-energy methods represents a promising approach to advancing sustainable development. This study introduces a novel three-dimensional porphyrin metal-organic framework (PMOF) for the biomass conversion of tetrahydrofurfuryl alcohol (THFA) to γ-butyrolactone (BLT). Pd2+ was introduced into the porphyrin ring center of the monometallic Sm-PMOFs, and the synergistic effect of the bimetal greatly enhanced the photoresponsive ability, realizing the effective separation of photogenerated electrons and holes in the porphyrin-blocked organics, and solved the intrinsic defects of traditional photocatalysts. Additionally, an accurate reaction mechanism was proposed by density functional theory (DFT) calculations, thereby making the conversion of THFA to BLT more controllable.

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.