DICP OpenIR
Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes
Yang, Dong1,2; Kong, Xiangtao1; Zheng, Huijun1,2; Su, Mingzhi1,2; Zhao, Zhi1; Xie, Hua1; Fan, Hongjun1; Zhang, Weiqing1; Jiang, Ling1
Corresponding AuthorJiang, Ling(ljiang@dicp.ac.cn)
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
2019-05-02
ISSN1089-5639
DOI10.1021/acs.jpca.9b00041
Volume123Issue:17Pages:3703-3708
Funding ProjectNational Natural Science Foundation of China[21327901] ; National Natural Science Foundation of China[21503222] ; National Natural Science Foundation of China[21673231] ; National Natural Science Foundation of China[21673234] ; National Natural Science Foundation of China[21688102] ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS)[XDB17000000] ; Dalian Institute of Chemical Physics[DICP DCLS201702] ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordCARBON-DIOXIDE ; PHOTODISSOCIATION SPECTROSCOPY ; REDUCTIVE ACTIVATION ; VIBRATIONAL-SPECTRA ; ANIONIC COMPLEXES ; GROWTH DYNAMICS ; CO2 ; SOLVATION ; METAL ; AFFINITIES
AbstractGas-phase infrared photodissociation spectra of [V(CO2)(n)](+) complexes revealed three new vibrational bands at 1140, 1800, and 3008 cm(-1) at n = 7, the features of which are retained in the larger clusters (Ricks, A. M.; Brathwaite, A. D.; Duncan, M. A. J. Phys. Chem. A 2013, 117, 11490-11498). However, structural assignment of this intriguing feature remains open. Herein, quantum chemical calculations on [V(CO2)(7)](+) were carried out to identify the structure of the low-lying isomers and to assign the observed spectral features. The comparison of calculated infrared spectra of [V(CO2)(7)](+) with experimental infrared spectra identified the formation of a bent CO2 species, suggesting the ligand-induced activation of CO, by the vanadium cation. The structures and infrared spectra of [Cr(CO2)(7)](+) and [Mn(CO2)(7)](+) were also predicted and discussed.
Language英语
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Strategic Priority Research Program of the Chinese Academy of Sciences (CAS) ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Dalian National Laboratory for Clean Energy (DNL), CAS ; Dalian National Laboratory for Clean Energy (DNL), CAS ; K. C. Wong Education Foundation ; K. C. Wong Education Foundation
WOS IDWOS:000466989200009
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/165463
Collection中国科学院大连化学物理研究所
Corresponding AuthorJiang, Ling
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, Collaborat Innovat Ctr Chem Energy & Mat iChEM, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China
2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Yang, Dong,Kong, Xiangtao,Zheng, Huijun,et al. Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2019,123(17):3703-3708.
APA Yang, Dong.,Kong, Xiangtao.,Zheng, Huijun.,Su, Mingzhi.,Zhao, Zhi.,...&Jiang, Ling.(2019).Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes.JOURNAL OF PHYSICAL CHEMISTRY A,123(17),3703-3708.
MLA Yang, Dong,et al."Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes".JOURNAL OF PHYSICAL CHEMISTRY A 123.17(2019):3703-3708.
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