Infrared Photodissociation Spectroscopic and Theoretical Study of [Co(CO2)n]+ Clusters

被引：6

作者：

Yang, Dong ^{[1
,2
]}

Su, Ming-zhi ^{[1
,2
]}

Zheng, Hui-jun ^{[1
,2
]}

Zhao, Zhi ^{[1
]}

Li, Gang ^{[1
]}

Kong, Xiang-tao ^{[1
]}

Xie, Hua ^{[1
]}

Fan, Hong-jun ^{[1
]}

Zhang, Wei-qing ^{[1
]}

Jiang, Ling ^{[1
]}

机构：

[1] Chinese Acad Sci, State Key Lab Mol React Dynam, Collaborat Innovat Ctr Chem Energy & Mat, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

[2] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

来源：

CHINESE JOURNAL OF CHEMICAL PHYSICS | 2019年 / 32卷 / 02期

基金：

中国国家自然科学基金; 中国博士后科学基金;

关键词：

Cationic cobalt; Carbon dioxide; Structure; Infrared photodissociation spectroscopy; Quantum chemical calculation; DRIVEN REDUCTIVE ACTIVATION; CARBON-DIOXIDE; ANIONIC COMPLEXES; GROWTH DYNAMICS; GAS; SPECTRA; SOLVATION; LANTHANUM; CHEMISTRY; ATOMS;

D O I：

10.1063/1674-0068/cjcp1902032

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

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.

引用

页码：223 / 228

页数：6

共 35 条

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