We explored the adsorption of O2 on cationic gold clusters by combining cluster reaction experiments and theoretical calculations. Under a mild condition, Au10+ can readily adsorb one O2 molecule forming Au10O2+; Au2+ and Au4+ are low-reactive, while the argon complexes Au2ArO2+ and Au4Ar1,2O2+ can easily form; all other sizes are inactive. Theoretical calculations indicate that the O2 on the linear or planar structures of Aun+ (n=2–7) and the planar isomers of Au8+ tends to be adsorbed in an end-on manner and non-activated, and so does the O2 on the large odd sizes of Aun+ with n=9, 11, and 13 determined to be three-dimensional structures. In marked contrast, the O2 on the three-dimensional isomer of Au8+ and the large even-numbered Aun+ with n=10, 12, and 14 tends to be adsorbed in a side-on manner and apparently activated. Observation of only Au2,4,10O2+, Au2ArO2+, and Au4ArO2+ in the present experiments can be well rationalized using the calculated bonding strengths and the kinetic factors.
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June 2024
Research Article|
June 01 2024
Adsorption of O2 on cationic gold clusters: Analyses on bonding strength and extent of activation†
Special Collection:
In Memory of Prof. Qihe Zhu on the occasion of his 100th Anniversary
Jin Hu;
Jin Hu
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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Lulu Huang;
Lulu Huang
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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Wen Liu;
Wen Liu
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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Zhengqian Jin;
Zhengqian Jin
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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Xuefeng Wang;
Xuefeng Wang
*
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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Xiaopeng Xing
Xiaopeng Xing
*
Departement of Chemistry, Tongji University
, Shanghai 200092, China
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†
Part of Special Issue “In Memory of Prof. Qihe Zhu on the occasion of his 100th Aniversary”.
Chin. J. Chem. Phys. 37, 351–360 (2024)
Article history
Received:
January 01 2024
Accepted:
January 15 2024
Citation
Jin Hu, Lulu Huang, Wen Liu, Zhengqian Jin, Xuefeng Wang, Xiaopeng Xing; Adsorption of O2 on cationic gold clusters: Analyses on bonding strength and extent of activation. Chin. J. Chem. Phys. 1 June 2024; 37 (3): 351–360. https://doi.org/10.1063/1674-0068/cjcp2312142
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