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

	Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer
	Kong, Xiangtao 2,4; Jiang, Shukang 2,4,5,6; Zhao, Zhi 2; Dai, Dongxu 2; Zhang, Bingbing 2,3,4; Yang, Dong 2,4; Xie, Hua 2; Hao, Ce 3; Liu, Zhi-Feng 1,7,8; Yang, Xueming 2
刊名	JOURNAL OF PHYSICAL CHEMISTRY A
	2017-09-28
卷号	121 期号:38 页码:7176-7182
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.
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
收录类别	SCI
语种	英语
WOS记录号	WOS:000412149600013
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/150046]
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
作者单位	1.Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong, Peoples R China 2.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 3.Dalian Univ Technol, State Key Lab Fine Chem, 2 Linggong Rd, Dalian 116024, Peoples R China 4.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 5.Chinese Acad Sci, Shanghai Adv Res Inst, 99 Haike Rd, Shanghai 201210, Peoples R China 6.ShanghaiTech Univ, Sch Phys Sci & Technol, 319 Yueyang Rd, Shanghai 200031, Peoples R China 7.Chinese Univ Hong Kong, Shenzhen Res Inst, 10,Second Yuexing Rd, Shenzhen, Peoples R China 8.Chinese Univ Hong Kong, Ctr Sci Modeling & Computat, Shatin, Hong Kong, Peoples R China
推荐引用方式 GB/T 7714	Kong, Xiangtao,Jiang, Shukang,Zhao, Zhi,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	Kong, Xiangtao.,Jiang, Shukang.,Zhao, Zhi.,Dai, Dongxu.,Zhang, Bingbing.,...&Jiang, Ling.(2017).Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer.JOURNAL OF PHYSICAL CHEMISTRY A,121(38),7176-7182.
MLA	Kong, Xiangtao,et al."Infrared-Vacuum Ultraviolet Spectroscopic and Theoretical Study of Neutral Methylamine Dimer".JOURNAL OF PHYSICAL CHEMISTRY A 121.38(2017):7176-7182.