CO chemisorption on the surfaces of the golden cages

Wei Huang; Satya Bulusu; Rhitankar Pal; Xiao Cheng Zeng; Lai-Sheng Wang

doi:10.1063/1.3273326

CO chemisorption on the surfaces of the golden cages

Wei Huang, Satya Bulusu, Rhitankar Pal, Xiao Cheng Zeng, Lai-Sheng Wang

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

41 Citations (Scopus)

Abstract

We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au₁₇^- cage is highly robust and retains its cage structure in Au₁₇(CO)^-. On the other hand, the Au₁₆^- cage is transformed to a structure similar to Au₁₇^- upon the adsorption of CO. Au ₁₈^- is known to consist of two nearly degenerate structures, i.e., a cage and a pyramidal isomer, which coexist in the cluster beam. However, upon CO chemisorption only the cage isomer is observed while the pyramidal isomer no longer exists due to its less favorable interaction with CO, compared to the cage isomer. We find that inclusion of the spin-orbit effects is critical in yielding simulated spectra in quantitative agreement with the experimental data and providing unequivocal structural information and molecular insights into the chemical interactions between CO and the golden cages. © 2009 American Institute of Physics.

Original language	English
Article number	234305
Journal	Journal of Chemical Physics
Volume	131
Issue number	23
DOIs	https://doi.org/10.1063/1.3273326
Publication status	Published - 2009
Externally published	Yes

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title = "CO chemisorption on the surfaces of the golden cages",

abstract = "We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au17- cage is highly robust and retains its cage structure in Au17(CO)-. On the other hand, the Au16- cage is transformed to a structure similar to Au17- upon the adsorption of CO. Au 18- is known to consist of two nearly degenerate structures, i.e., a cage and a pyramidal isomer, which coexist in the cluster beam. However, upon CO chemisorption only the cage isomer is observed while the pyramidal isomer no longer exists due to its less favorable interaction with CO, compared to the cage isomer. We find that inclusion of the spin-orbit effects is critical in yielding simulated spectra in quantitative agreement with the experimental data and providing unequivocal structural information and molecular insights into the chemical interactions between CO and the golden cages. {\textcopyright} 2009 American Institute of Physics.",

author = "Wei Huang and Satya Bulusu and Rhitankar Pal and Zeng, {Xiao Cheng} and Lai-Sheng Wang",

note = "Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].",

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T1 - CO chemisorption on the surfaces of the golden cages

AU - Huang, Wei

AU - Bulusu, Satya

AU - Pal, Rhitankar

AU - Zeng, Xiao Cheng

AU - Wang, Lai-Sheng

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2009

Y1 - 2009

N2 - We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au17- cage is highly robust and retains its cage structure in Au17(CO)-. On the other hand, the Au16- cage is transformed to a structure similar to Au17- upon the adsorption of CO. Au 18- is known to consist of two nearly degenerate structures, i.e., a cage and a pyramidal isomer, which coexist in the cluster beam. However, upon CO chemisorption only the cage isomer is observed while the pyramidal isomer no longer exists due to its less favorable interaction with CO, compared to the cage isomer. We find that inclusion of the spin-orbit effects is critical in yielding simulated spectra in quantitative agreement with the experimental data and providing unequivocal structural information and molecular insights into the chemical interactions between CO and the golden cages. © 2009 American Institute of Physics.

AB - We report a joint experimental and theoretical study of CO chemisorption on the golden cages. We find that the Au17- cage is highly robust and retains its cage structure in Au17(CO)-. On the other hand, the Au16- cage is transformed to a structure similar to Au17- upon the adsorption of CO. Au 18- is known to consist of two nearly degenerate structures, i.e., a cage and a pyramidal isomer, which coexist in the cluster beam. However, upon CO chemisorption only the cage isomer is observed while the pyramidal isomer no longer exists due to its less favorable interaction with CO, compared to the cage isomer. We find that inclusion of the spin-orbit effects is critical in yielding simulated spectra in quantitative agreement with the experimental data and providing unequivocal structural information and molecular insights into the chemical interactions between CO and the golden cages. © 2009 American Institute of Physics.

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U2 - 10.1063/1.3273326

DO - 10.1063/1.3273326

M3 - RGC 21 - Publication in refereed journal

SN - 0021-9606

VL - 131

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 23

M1 - 234305

ER -

CO chemisorption on the surfaces of the golden cages

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