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Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer
Zhang, Bingbing1,2,3; Kong, Xiangtao1,3; Jiang, Shukang1,3,4,5; Zhao, Zhi1; Yang, Dong1,3; Xie, Hua1; Hao, Ce2; Dai, Dongxu1; Yang, Xueming1; Liu, Zhi-Feng6,7,8; Jiang, Ling1
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
2017-09-28
DOI10.1021/acs.jpca.7b08096
Volume121Issue:38Pages:7176-7182
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordAB-INITIO ; VIBRATIONAL SPECTROSCOPY ; GAS-PHASE ; FORCE-FIELD ; CLUSTERS ; CHEMISTRY ; DYNAMICS ; PHOTODISSOCIATION ; TRIMETHYLAMINE ; INTERMEDIATE
AbstractThe methylamine dimer, (CH3NH2)(2), is a model system to study the CH3 and NH2 spectral patterns in the neutral microsolvated systems relevant to chemical biology, atmospheric chemistry, and catalysis. We report infrared-vacuum ultraviolet spectroscopic measurements to probe the neutral (CH3NH2)(2). Quantum chemical calculations and ab initio molecular dynamics simulations were performed to understand the observed spectral features. Experimental and theoretical results indicate the likely coexistence of both cis and trans structures. A salient feature of this work is that the peak widths are not significantly affected by the structural transformation and the fluctuation of hydrogen bond distance, allowing the stretching modes to be clearly resolved.
Language英语
WOS IDWOS:000412149600013
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/150046
Collection中国科学院大连化学物理研究所
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.Dalian Univ Technol, State Key Lab Fine Chem, 2 Linggong Rd, Dalian 116024, Peoples R China
3.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
4.Chinese Acad Sci, Shanghai Adv Res Inst, 99 Haike Rd, Shanghai 201210, Peoples R China
5.ShanghaiTech Univ, Sch Phys Sci & Technol, 319 Yueyang Rd, Shanghai 200031, Peoples R China
6.Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China
7.Chinese Univ Hong Kong, Ctr Sci Modeling & Computat, Shatin, Hong Kong, Peoples R China
8.Chinese Univ Hong Kong, Shenzhen Res Inst, 10,Second Yuexing Rd, Shenzhen, Peoples R China
Recommended Citation
GB/T 7714
Zhang, Bingbing,Kong, Xiangtao,Jiang, Shukang,et al. Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2017,121(38):7176-7182.
APA Zhang, Bingbing.,Kong, Xiangtao.,Jiang, Shukang.,Zhao, Zhi.,Yang, Dong.,...&Jiang, Ling.(2017).Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer.JOURNAL OF PHYSICAL CHEMISTRY A,121(38),7176-7182.
MLA Zhang, Bingbing,et al."Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer".JOURNAL OF PHYSICAL CHEMISTRY A 121.38(2017):7176-7182.
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