CO2 Activation and Hydrogenation by Palladium Hydride Cluster Anions

Liu Gaoxiang; Zhu Zhaoguo; Marshall Mary; Blankenhorn Moritz; Bowen Kit H.

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CO2 Activation and Hydrogenation by Palladium Hydride Cluster Anions

机译：钯氢化钯簇阴离子的CO2活化和氢化

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Mass spectrometric analysis of the anionic products of interaction between palladium hydride anions, PdH-, and carbon dioxide, CO2, in a reaction cell shows an efficient generation of the PdHCO2- intermediate and isolated formate product. Multiple isomers of the PdHCO2- intermediates are identified by a synergy between negative ion photoelectron spectroscopy and quantum-chemical calculations. It is shown that a direct mechanism, in which the H atom in PdH- directly activates and hydrogenates CO2, leads to the formation of the formate product. An indirect mechanism, on the other hand, leads to a stable HPdCO2- structure, where CO2 is chemisorbed onto the Pd atom.

机译：反应池中钯氢化物阴离子PdH-和二氧化碳CO2相互作用的阴离子产物的质谱分析表明，PdHCO2-中间体和分离的甲酸盐产物的生成效率高。通过负离子光电子能谱和量子化学计算之间的协同作用，确定了PdHCO2-中间体的多种异构体。结果表明，PdH中的H原子直接活化和氢化CO2的直接机制导致甲酸盐产物的形成。另一方面，间接机制导致稳定的HPdCO2结构，其中CO2被化学吸附到Pd原子上。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2021年第8期|共7页
作者
Liu Gaoxiang; Zhu Zhaoguo; Marshall Mary; Blankenhorn Moritz; Bowen Kit H.;
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Johns Hopkins Univ Dept Chem Baltimore MD 21218 USA;

Johns Hopkins Univ Dept Chem Baltimore MD 21218 USA;

Johns Hopkins Univ Dept Chem Baltimore MD 21218 USA;

Johns Hopkins Univ Dept Chem Baltimore MD 21218 USA;

Johns Hopkins Univ Dept Chem Baltimore MD 21218 USA;

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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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CO2 Activation and Hydrogenation by Palladium Hydride Cluster Anions

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