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On the determination of atomic charge via ESCA for organometallics II
Journal of Electron Spectroscopy and Related Phenomena ( IF 1.9 ) Pub Date : 2021-01-01 , DOI: 10.1016/j.elspec.2020.147015
Robert J. Meier

Abstract Following a method originally proposed by Folkesson and Larsson, linear relationships between atomic charges and experimentally determined core-electron ESCA shifts obtained from model compounds were established. The relations revealed for metal ions allow subsequent characterisation of changes in the charge on metal ion sites, thereby enabling the study of the relation between metal ion charge and, e.g., catalytic activity. We have extended previous work establishing charge – core binding energy relations for a series of metals, now completing the series Ti – Cu.

中文翻译:

通过 ESCA 测定有机金属的原子电荷 II

摘要 按照最初由 Folkesson 和 Larsson 提出的方法,建立了原子电荷与实验确定的从模型化合物获得的核电子 ESCA 位移之间的线性关系。为金属离子揭示的关系允许随后表征金属离子位点上电荷的变化,从而能够研究金属离子电荷与例如催化活性之间的关系。我们扩展了之前为一系列金属建立电荷 - 核结合能关系的工作,现在完成了 Ti - Cu 系列。
更新日期:2021-01-01
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