Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer

doi:10.1063/1674-0068/30/cjcp1711213

	Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Trimethylamine Dimer
	Zhang, Bing-bing 1,2,3; Kong, Xiang-tao 1,3; Jiang, Shu-kang 1,3,4,5; Zhao, Zhi 1; Xie, Hua 1; Hao, Ce 2; Dai, Dong-xu 1; Yang, Xue-ming 1; Jiang, Ling 1
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	2017-12-01
卷号	30 期号:6 页码:691-695
关键词	Infrared-vacuum Ultraviolet Neutral Cluster Trimethylamine Quantum Chemical Calculation
ISSN号	1674-0068
DOI	10.1063/1674-0068/30/cjcp1711213
文献子类	Article
英文摘要	Infrared-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.
WOS关键词	BONDED CLUSTERS ; NUCLEATION ; ATMOSPHERE ; MODEL
WOS研究方向	Physics
语种	英语
出版者	CHINESE PHYSICAL SOC
WOS记录号	WOS:000423287900014
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/168624]
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.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
推荐引用方式 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.