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: The O-H stretching Delta nu=3, 4, and 5 vibrational overtones and conformational study of 2-butanol
作者: Xu, SC;  Liu, YL;  Sha, GH;  Zhang, CH;  Xie, JC
刊名: JOURNAL OF PHYSICAL CHEMISTRY A
发表日期: 2000-09-28
卷: 104, 期:38, 页:8671-8676
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical ;  Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Chemistry ;  Physics
英文摘要: The O-H stretching Delta upsilon = 3, 4, and 5 vibrational overtone spectra of 2-butanol (sec-butyl alcohol) in the gas phase are measured using cavity ring-down spectroscopy (CRDS), where two bands are observed for each vibrational level. They are assigned to the absorption of the O-H stretching vibrations of different conformations and further confirmed by density functional theory (DFT) calculations. The mechanical frequencies omega(e), anharmonicities omega(e)chi(e), and dissociation energies D are evaluated by the local-mode theory. The band intensities of each band are obtained as well. The band shapes are simulated by a Lorentzian-Gaussian sum function. The molecular geometry, abundance, and O-H stretching frequencies of the calculated conformations are in good agreement with experimental results.
关键词[WOS]: RING-DOWN SPECTROSCOPY ;  SPECTRA ;  ABSORPTION ;  TEMPERATURE ;  OSCILLATORS ;  DYNAMICS
语种: 英语
WOS记录号: WOS:000089561200010
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138768
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.Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China

Recommended Citation:
Xu, SC,Liu, YL,Sha, GH,et al. The O-H stretching Delta nu=3, 4, and 5 vibrational overtones and conformational study of 2-butanol[J]. JOURNAL OF PHYSICAL CHEMISTRY A,2000,104(38):8671-8676.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Xu, SC]'s Articles
 [Liu, YL]'s Articles
 [Sha, GH]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Xu, SC]‘s Articles
 [Liu, YL]‘s Articles
 [Sha, GH]‘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