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Photoelectron Velocity Map Imaging Spectroscopy of Heteronuclear Metal–Nickel Carbonyls MNi(CO) n − (M = Sc, Y; n = 2–6)

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Abstract

The chemical bonding and electronic structure of heteronuclear metal–nickel carbonyls MNi(CO) n − (M = Sc, Y; n = 2–6) have been investigated by mass-selected photoelectron velocity map imaging spectroscopy and quantum chemical calculations. Two CO bonding modes (side-on-bonded and terminal carbonyls) are involved in the n = 2 cluster. The building block composed of three kinds of different CO modes (side-on-bonded, bridging, and terminal carbonyls) is favored at n = 3, the structure of which persists up to n = 6. The additional CO ligands are preferentially coordinated in the terminal mode to the Sc atom and then to the Ni atom in the larger clusters. The present findings would promote the understanding of CO molecule activation and chemisorbed CO molecules on metal surfaces.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grants 21327901, 21503222, and 21673231), the Key Research Program (Grant KGZD-EW-T05), and the Strategic Priority Research Program (Grant XDB17010000) of the Chinese Academy of Science. L. J. acknowledges the Hundred Talents Program of Chinese Academy of Sciences.

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Authors and Affiliations

  1. State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials (iChEM), Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 457 Zhongshan Road, Dalian, 116023, Liaoning, China

    Hua Xie, Jinghan Zou, Qinqin Yuan, Jumei Zhang, Hongjun Fan & Ling Jiang

  2. University of Chinese Academy of Sciences, 19A Yuquan Road, Beijing, 100049, China

    Jinghan Zou, Qinqin Yuan & Jumei Zhang

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  1. Hua Xie
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  2. Jinghan Zou
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  3. Qinqin Yuan
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Correspondence to Ling Jiang.

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Xie, H., Zou, J., Yuan, Q. et al. Photoelectron Velocity Map Imaging Spectroscopy of Heteronuclear Metal–Nickel Carbonyls MNi(CO) n − (M = Sc, Y; n = 2–6). Top Catal 61, 71–80 (2018). https://doi.org/10.1007/s11244-017-0875-0

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