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Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer
Zhang, Bing-bing1,2,3; Kong, Xiang-tao1,3; Jiang, Shu-kang1,3,4,5; Zhao, Zhi1; Xie, Hua1; Hao, Ce2; Dai, Dong-xu1; Yang, Xue-ming1; Jiang, Ling1
KeywordInfrared-vacuum Ultraviolet Neutral Cluster Trimethylamine Quantum Chemical Calculation
Source PublicationCHINESE JOURNAL OF CHEMICAL PHYSICS
2017-12-01
ISSN1674-0068
DOI10.1063/1674-0068/30/cjcp1711213
Volume30Issue:6Pages:691-695
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS Research AreaPhysics
WOS KeywordBONDED CLUSTERS ; NUCLEATION ; ATMOSPHERE ; MODEL
AbstractInfrared-vacuum ultraviolet (IR-VUV) spectra of neutral trimethylamine dimer were measured in the 2500 3800 cm(-1) region. Quantum chemical calculations were performed to identify the structure of the low-lying isomers and to assign the observed spectral features. The bands at 2975 and 2949 cm(-1) were assigned to the antisymmetric C-H stretching and the band at 2823 cm(-1) to the symmetric C-H stretching, respectively. The 2739 cm(-1) band was due to the CH3 bending overtone, which disappeared at low IR laser power of 1 mJ/mm(2). The extra band at 2773 cm(-1) could be due to Fermi resonance behavior of the light isotopologue, these are often close in energy and can strongly mix through cubic terms in the potential function. Experimental and theoretical results indicate the likely coexistence of multiple structures. The peak widths of IR spectra of neutral trimethylamine dimer are not significantly affected by the structural transformation, allowing the stretching modes to be well resolved.
Language英语
WOS IDWOS:000423287900014
PublisherCHINESE PHYSICAL SOC
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/168625
Collection中国科学院大连化学物理研究所
Corresponding AuthorJiang, Ling
Affiliation1.Chinese Acad Sci, State Key Lab Mol React Dynam, Collaborat Innovat Ctr Chem Energy & Mat iChEM, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
2.Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116024, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Chinese Acad Sci, Shanghai Adv Res Inst, Shanghai 201210, Peoples R China
5.ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Bing-bing,Kong, Xiang-tao,Jiang, Shu-kang,et al. Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2017,30(6):691-695.
APA Zhang, Bing-bing.,Kong, Xiang-tao.,Jiang, Shu-kang.,Zhao, Zhi.,Xie, Hua.,...&Jiang, Ling.(2017).Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer.CHINESE JOURNAL OF CHEMICAL PHYSICS,30(6),691-695.
MLA Zhang, Bing-bing,et al."Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer".CHINESE JOURNAL OF CHEMICAL PHYSICS 30.6(2017):691-695.
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