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题名: Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer
作者: 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
发表日期: 2017-09-28
DOI: 10.1021/acs.jpca.7b08096
卷: 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
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.
关键词[WOS]: AB-INITIO ;  VIBRATIONAL SPECTROSCOPY ;  GAS-PHASE ;  FORCE-FIELD ;  CLUSTERS ;  CHEMISTRY ;  DYNAMICS ;  PHOTODISSOCIATION ;  TRIMETHYLAMINE ;  INTERMEDIATE
语种: 英语
WOS记录号: WOS:000412149600013
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/150046
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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