中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Correlated High-Frequency Molecular Motions in Neat Liquid Probed with Ultrafast Overtone Two-Dimensional Infrared Spectroscopy
作者: Li, Donghai1;  Yang, Fan1;  Han, Chen1;  Zhao, Juan1;  Wang, Jianping1
刊名: JOURNAL OF PHYSICAL CHEMISTRY LETTERS
发表日期: 2012-12-06
DOI: 10.1021/jz301652v
卷: 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
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.
关键词[WOS]: HYDROGEN-BOND DYNAMICS ;  VIBRATIONAL DYNAMICS ;  STRUCTURAL DYNAMICS ;  IR SPECTROSCOPY ;  METHYL-ALCOHOL ;  METHANOL ;  WATER ;  TEMPERATURE ;  SPECTRA ;  ECHOES
语种: 英语
WOS记录号: WOS:000312170600046
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/142946
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Li, Donghai]'s Articles
 [Yang, Fan]'s Articles
 [Han, Chen]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Li, Donghai]‘s Articles
 [Yang, Fan]‘s Articles
 [Han, Chen]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace