DICP OpenIR
Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy
Li, Donghai; Yang, Fan; Han, Chen; Zhao, Juan; Wang, Jianping
刊名JOURNAL OF PHYSICAL CHEMISTRY LETTERS
2012-12-06
DOI10.1021/jz301652v
3期:23页:3665-3670
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences ; Technology
类目[WOS]Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
研究领域[WOS]Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
关键词[WOS]HYDROGEN-BOND DYNAMICS ; VIBRATIONAL DYNAMICS ; STRUCTURAL DYNAMICS ; IR SPECTROSCOPY ; METHYL-ALCOHOL ; METHANOL ; WATER ; TEMPERATURE ; SPECTRA ; ECHOES
英文摘要In this work, an overtone two-dimensional infrared (2D IR) method is shown to allow correlated molecular motions at the frequencies of overtone transitions to be studied. Waiting-time-dependent overtone 2D IR results of the C-O stretching in neat liquid methanol reveal that the autocorrelation of the v = 0 -> 2 transition and the cross correlation of the v = 0 -> 2/v = 2 -> 4 transitions differ considerably (relaxation time being 700 fs and 2 ps, respectively), suggesting different spectral diffusion dynamics. Quantum-chemical computations in combination with ab initio molecular dynamics simulations show that the overtone transition frequency of the C-O stretching mode in liquid methanol is of more structural sensitivity than the fundamental frequency. This work demonstrates a new 2D IR approach to examining the structural sensitivities of the anharmonic potential parameters of higher vibrational states, which can be used to gain new insight into the ultrafast structural dynamics particularly for neat liquids.
语种英语
WOS记录号WOS:000312170600046
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被引频次:17[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/321008/142946
专题中国科学院大连化学物理研究所
作者单位Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
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Li, Donghai,Yang, Fan,Han, Chen,et al. Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2012,3(23):3665-3670.
APA Li, Donghai,Yang, Fan,Han, Chen,Zhao, Juan,&Wang, Jianping.(2012).Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,3(23),3665-3670.
MLA Li, Donghai,et al."Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 3.23(2012):3665-3670.
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