Wen Yujie, Wang Fang, Zhu Heqing, Yang Changju, Ke Xiaokang, Li Wei, Huo Hua, Peng Luming
Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, 163 Xianlin Road, Nanjing 210023, China.
Department of Chemistry, University of California, Berkeley, Berkeley, California 94720, United States.
ACS Omega. 2025 Mar 25;10(13):13655-13663. doi: 10.1021/acsomega.5c00998. eCollection 2025 Apr 8.
Noble metal oxides are highly valuable and act as a key component of metal-oxide interfaces in oxide-supported noble metal catalysts, which play a crucial role in modern industrial society. Here, we investigate the structure of four common and stable noble metal oxides using O solid-state NMR. The optimal isotopic labeling temperature ensures the highest labeling efficiency while preserving the structure of the oxides. The variation in characteristic signals for each noble metal oxide reveals oxygen species in different chemical environments, while the NMR parameters related to chemical shift anisotropy and quadrupolar interaction obtained from spectral fitting indicate more structural information. DFT calculations are used to assist spectral assignments for various oxygen species. This work serves as a prerequisite for studying solid-state NMR of oxide-supported noble metal catalysts.
贵金属氧化物非常有价值，并且是氧化物负载型贵金属催化剂中金属-氧化物界面的关键组成部分，这些催化剂在现代工业社会中发挥着至关重要的作用。在此，我们使用O固体核磁共振研究了四种常见且稳定的贵金属氧化物的结构。最佳同位素标记温度可确保最高的标记效率，同时保留氧化物的结构。每种贵金属氧化物特征信号的变化揭示了不同化学环境中的氧物种，而从光谱拟合获得的与化学位移各向异性和四极相互作用相关的核磁共振参数则表明了更多的结构信息。密度泛函理论计算用于辅助各种氧物种的光谱归属。这项工作是研究氧化物负载型贵金属催化剂固体核磁共振的先决条件。
