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Temperature-Dependent Infrared Photodissociation Spectroscopy of (CO2)(3)(+) Cation

文献类型：期刊论文

作者Yang, Xueming3; Lei, Xin1,3; Kong, Xiangtao3; Zhang, Bingbing2,3; Zhao, Zhi3; Dai, Dongxu3; Jiang, Ling3
刊名JOURNAL OF PHYSICAL CHEMISTRY A
出版日期2018-10-11
卷号122期号:40页码:8054-8057
ISSN号1089-5639
DOI10.1021/acs.jpca.8b07933
通讯作者Jiang, Ling(ljiang@dicp.ac.cn)
英文摘要Infrared photodissociation spectra of He-buffer gas -cooled (CO2)(3)(+) were measured at ion trap temperatures of 15, 50, 150, and 280 K. Electronic structure calculations at the mPW2PLYPD/aug-cc-pVDZ level were performed to identify the structures of the low-lying isomers and to assign the observed spectral features. The experimental and calculated infrared spectra show that the (CO2)(3)(+) cations formed in the source are primarily dominated by the charge partially delocalized C2O4+ motif, in which the positive charge is partially delocalized over the two CO2 molecules. Thermal heating at elevated internal temperature supplies sufficient energy to overcome the isomerization barriers and gives access to the charge completely delocalized (CO2)(n)+ (n = 3) motif, in which the positive charge is almost completely delocalized over all of the constituent CO2 molecules.
WOS关键词SUPERSONIC MOLECULAR-BEAM ; CARBON-DIOXIDE DIMERS ; SOLID NEON ; VIBRATIONAL SPECTROSCOPY ; CLUSTER IONS ; SPECTRA ; PHOTOIONIZATION ; STABILITIES ; (CO2)(2)(-) ; CHEMISTRY
资助项目National Natural Science Foundation of China[21673231] ; National Natural Science Foundation of China[21688102] ; Dalian Institute of Chemical Physics[DICP DCLS201702] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB17000000]
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000447471400013
出版者AMER CHEMICAL SOC
资助机构National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Dalian Institute of Chemical Physics ; Dalian Institute of Chemical Physics ; Strategic Priority Research Program of the Chinese Academy of Sciences ; Strategic Priority Research Program of the Chinese Academy of Sciences
源URL[http://cas-ir.dicp.ac.cn/handle/321008/166846]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者Jiang, Ling
作者单位1.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
2.Dalian Univ Technol, State Key Lab Fine Chem, 2 Linggong Rd, Dalian 116024, Peoples R China
3.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China
推荐引用方式
GB/T 7714		 Yang, Xueming,Lei, Xin,Kong, Xiangtao,et al. Temperature-Dependent Infrared Photodissociation Spectroscopy of (CO2)(3)(+) Cation[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2018,122(40):8054-8057.
APA Yang, Xueming.,Lei, Xin.,Kong, Xiangtao.,Zhang, Bingbing.,Zhao, Zhi.,...&Jiang, Ling.(2018).Temperature-Dependent Infrared Photodissociation Spectroscopy of (CO2)(3)(+) Cation.JOURNAL OF PHYSICAL CHEMISTRY A,122(40),8054-8057.
MLA Yang, Xueming,et al."Temperature-Dependent Infrared Photodissociation Spectroscopy of (CO2)(3)(+) Cation".JOURNAL OF PHYSICAL CHEMISTRY A 122.40(2018):8054-8057.

入库方式： OAI收割

来源：大连化学物理研究所

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