The mass-selected infrared photodissociation (IRPD) spectroscopy was utilized to investigate the interactions of cationic cobalt with carbon dioxide molecules. Quantum chemical calculations were performed on the [Co(CO2)n]+ clusters to identify the structures of the low-lying isomers and to assign the observed spectral features. All the [Co(CO2)n]+ (n=2−6) clusters studied here show resonances near the CO2 asymmetric stretch of free CO2 molecule. Experimental and calculated results indicate that the CO2 molecules are weakly bound to the Co+ cations in an end-on configuration via a charge-quadrupole electrostatic interaction. The present IRPD spectra of [Co(CO2)n]+ clusters have been compared to those of Ar-tagged species ([Co(CO2)n]+-Ar), which would provide insights into the tagging effect of rare gas on the weakly-bounded clusters.
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April 2019
Research Article|
April 01 2019
Infrared photodissociation spectroscopic and theoretical study of [Co(CO2)n]+ clusters†
Dong Yang;
Dong Yang
‡
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
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Ming-zhi Su;
Ming-zhi Su
‡
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
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Hui-jun Zheng;
Hui-jun Zheng
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
b
University of Chinese Academy of Sciences
, Beijing 100049, China
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Zhi Zhao;
Zhi Zhao
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Gang Li;
Gang Li
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Xiang-tao Kong;
Xiang-tao Kong
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Hua Xie;
Hua Xie
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Hong-jun Fan;
Hong-jun Fan
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Wei-qing Zhang;
Wei-qing Zhang
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
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Ling Jiang
Ling Jiang
*
a
State Key Laboratory of Molecular Reaction Dynamics, Collaborative Innovation Center of Chemistry for Energy and Materials, Dalian Institute of Chemical Physics, Chinese Academy of Sciences
, Dalian 116023, China
*Author to whom correspondence should be addressed. E-mail: [email protected]
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‡
These authors contributed equally to this work.
*Author to whom correspondence should be addressed. E-mail: [email protected]
†
Part of the special issue for “the 19th International Symposium on Small Particles and Inorganic Clusters”
Chin. J. Chem. Phys. 32, 223–228 (2019)
Article history
Received:
February 18 2019
Accepted:
March 28 2019
Citation
Dong Yang, Ming-zhi Su, Hui-jun Zheng, Zhi Zhao, Gang Li, Xiang-tao Kong, Hua Xie, Hong-jun Fan, Wei-qing Zhang, Ling Jiang; Infrared photodissociation spectroscopic and theoretical study of [Co(CO2)n]+ clusters. Chin. J. Chem. Phys. 1 April 2019; 32 (2): 223–228. https://doi.org/10.1063/1674-0068/cjcp1902032
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