Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes

doi:10.1021/acs.jpca.9b08630

	Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes
	Jiang, Shukang1,2,3,4 ; Kong, Xiangtao 2; Wang, Chong 2,4; Zang, Xiangyu 2,4; Su, Mingzhi 2,4; Zheng, Huijun 2,4; Zhang, Bingbing 2; Li, Gang 2; Xie, Hua 2; Yang, Xueming1,2,3 ; Liu, Zhiling 5; Liu, Zhifeng 6,7,8; Jiang, Ling 2
	2019-11-21
发表期刊	JOURNAL OF PHYSICAL CHEMISTRY A (IF:2.7[JCR-2023],2.5[5-Year])
ISSN	1089-5639
EISSN	1520-5215
卷号	123 期号:46 页码:10109-10115
发表状态	已发表
DOI	10.1021/acs.jpca.9b08630
摘要	Infrared spectra of the neutral dimethylamine-methanol cluster, DMA-CH3OH, were measured in the spectral range of 2800-3900 cm(-1) using an infrared-vacuum ultraviolet (IR-VUV) scheme. Quantum chemical calculations and ab initio molecular dynamic (AIMD) simulations were carried out to understand the experimental spectral features. Experimental and theoretical results reveal the coexistence of N center dot center dot center dot HO and O center dot center dot center dot HN hydrogen-bonded structures. AIMD simulations show that the methyl group in methanol internally rotates around the N center dot center dot center dot O axis, addressing the dynamic effect of the fluctuation of hydrogen bonds on the vibrational features. The bonding analysis was performed to elucidate the nature of the intermolecular interaction between DMA and CH3OH. The present work provides the fundamental understanding of hydrogen-bonding networks in the amine-alcohol complexes.
收录类别	SCI ; SCIE ; EI
语种	英语
资助项目	Strategic Priority Research Program of the Chinese Academy of Science[XDB17000000]
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000499738900024
出版者	AMER CHEMICAL SOC
WOS关键词	VIBRATIONAL SPECTROSCOPY ; PHOTOELECTRON-SPECTROSCOPY ; FERMI RESONANCE ; BONDED CLUSTERS ; WATER ; AFFINITIES ; NETWORKS ; AMINES
原始文献类型	Article
引用统计	正在获取...
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/104498
专题	物质科学与技术学院_博士生物质科学与技术学院_特聘教授组_杨学明组
通讯作者	Liu, Zhiling; Liu, Zhifeng; Jiang, Ling
作者单位	1.Chinese Acad Sci, Shanghai Adv Res Inst, 99 Haike Rd,Zhangjiang Hitech Pk, Shanghai 201210, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Peoples R China 3.ShanghaiTech Univ, Sch Phys Sci & Technol, 393 Middle Huaxia Rd, Shanghai 201210, Peoples R China 4.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China 5.Shanxi Normal Univ, Sch Chem & Mat Sci, Key Lab Magnet Mol & Magnet Informat Mat, Minist Educ, 1 Gongyuan St, Linfen 041004, Shanxi, Peoples R China 6.Chinese Univ Hong Kong, Dept Chem, Shatin, Hong Kong 999077, Peoples R China 7.Chinese Univ Hong Kong, Ctr Sci Modeling & Computat, Shatin, Hong Kong 999077, Peoples R China 8.CUHK Shenzhen Res Inst, 10,2nd Yuexing Rd, Shenzhen 518172, Guangdong, Peoples R China
第一作者单位	物质科学与技术学院
推荐引用方式 GB/T 7714	Jiang, Shukang,Kong, Xiangtao,Wang, Chong,et al. Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2019,123(46):10109-10115.
APA	Jiang, Shukang.,Kong, Xiangtao.,Wang, Chong.,Zang, Xiangyu.,Su, Mingzhi.,...&Jiang, Ling.(2019).Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes.JOURNAL OF PHYSICAL CHEMISTRY A,123(46),10109-10115.
MLA	Jiang, Shukang,et al."Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes".JOURNAL OF PHYSICAL CHEMISTRY A 123.46(2019):10109-10115.