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
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY LETTERS
2012-12-06
DOI10.1021/jz301652v
Volume3Issue:23Pages:3665-3670
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences ; Technology
WOS SubjectChemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS KeywordHYDROGEN-BOND DYNAMICS ; VIBRATIONAL DYNAMICS ; STRUCTURAL DYNAMICS ; IR SPECTROSCOPY ; METHYL-ALCOHOL ; METHANOL ; WATER ; TEMPERATURE ; SPECTRA ; ECHOES
AbstractIn 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.
Language英语
WOS IDWOS:000312170600046
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/142946
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
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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