Infrared Spectroscopy of Hydrogen-Bonding Interactions in Neutral Dimethylamine-Methanol Complexes
Jiang, Shukang1,2,3,4; Kong, Xiangtao2; Wang, Chong2,4; Zang, Xiangyu2,4; Su, Mingzhi2,4; Zheng, Huijun2,4; Zhang, Bingbing2; Li, Gang2; Xie, Hua2; Yang, Xueming1,2,3; Liu, Zhiling5; Liu, Zhifeng6,7,8; Jiang, Ling2
2019-11-21
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY A
ISSN1089-5639
Volume123Issue:46Pages:10109-10115
Status已发表
DOI10.1021/acs.jpca.9b08630
AbstractInfrared 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.
Indexed BySCI
Language英语
Funding ProjectStrategic Priority Research Program of the Chinese Academy of Science[XDB17000000]
WOS Research AreaChemistry ; Physics
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS IDWOS:000499738900024
PublisherAMER CHEMICAL SOC
EISSN1520-5215
WOS KeywordVIBRATIONAL SPECTROSCOPY ; PHOTOELECTRON-SPECTROSCOPY ; FERMI RESONANCE ; BONDED CLUSTERS ; WATER ; AFFINITIES ; NETWORKS ; AMINES
Original Document TypeArticle
Citation statistics
Cited Times [WOS]:0   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://kms.shanghaitech.edu.cn/handle/2MSLDSTB/104498
Collection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
Corresponding AuthorLiu, Zhiling; Liu, Zhifeng; Jiang, Ling
Affiliation1.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
First Author AffilicationSchool of Physical Science and Technology
Recommended Citation
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.
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