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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
刊名JOURNAL OF PHYSICAL CHEMISTRY A
2017-09-28
DOI10.1021/acs.jpca.7b08096
121期:38页:7176-7182
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Physics
关键词[WOS]AB-INITIO ; VIBRATIONAL SPECTROSCOPY ; GAS-PHASE ; FORCE-FIELD ; CLUSTERS ; CHEMISTRY ; DYNAMICS ; PHOTODISSOCIATION ; TRIMETHYLAMINE ; INTERMEDIATE
英文摘要The 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.
语种英语
WOS记录号WOS:000412149600013
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被引频次:4[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/150146
专题中国科学院大连化学物理研究所
作者单位1.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
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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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