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Investigation on the dipole-dipole interactions between tetramethylurea and acetonitrile by two-dimensional asynchronous spectroscopy
Alternative TitleJ. Mol. Struct.
Bi, Quan1,2; Chen, Jing2,3,4; Li, Xiaopei2,5,6; Shi, Jia-jia2,7; Wang, Xiaomin2; Zhang, Jin1,2; Gao, Danqing1,2; Zhai, Yanjun1; Zhao, Ying8; Weng, Shifu2; Xu, Yizhuang2; Noda, Isao9; Wu, Jinguang2
2014-07-08
Source PublicationJOURNAL OF MOLECULAR STRUCTURE
ISSN0022-2860
Volume1069Issue:1Pages:264-271
AbstractDouble Asynchronous Orthogonal Sample Design scheme (DAOSD) proposed in our previous work is used to probe dipole-dipole interaction between C:=O and C equivalent to N groups in tetramethylurea/CD3CN systems. The results indicate that the carbonyl band of tetramethylurea undergoes a red shift and the absorptivity of the carbonyl band of tetramethylurea and V-C equivalent to N of CD3CN decreases under intermolecular interaction. Then the interaction between tetramethylurea and CH3CN was also detected. Besides C=O and C equivalent to N groups, the spectral behavior of a combination band (delta(CH3) + VC-C) of CH3CN was also investigated. The spectral behavior is somewhat similar to the TMU/CD3CN system. However, a noticeable feature is observed on the relationship between V-C equivalent to N band at 2254 cm(-1) and the delta(CH3) + VC -C band at 2292 cm(-1) of CH3CN: no cross peak was observed at (2254, 2292) in the 2D asynchronous spectrum. Mathematical analysis indicates that absence of the cross peak can occur only when the variation of the absorptivity of V-C equivalent to N., and that of delta(CH3) + VC-C band are in the same proportion. Thus, the DAOSD approach reveals an unexpected relationship on the spectral behavior of the vN and delta(CH3) + VC-C band under intermolecular interaction. (C) 2014 Elsevier B.V. All rights reserved.; Double Asynchronous Orthogonal Sample Design scheme (DAOSD) proposed in our previous work is used to probe dipole-dipole interaction between C:=O and C equivalent to N groups in tetramethylurea/CD3CN systems. The results indicate that the carbonyl band of tetramethylurea undergoes a red shift and the absorptivity of the carbonyl band of tetramethylurea and V-C equivalent to N of CD3CN decreases under intermolecular interaction. Then the interaction between tetramethylurea and CH3CN was also detected. Besides C=O and C equivalent to N groups, the spectral behavior of a combination band (delta(CH3) + VC-C) of CH3CN was also investigated. The spectral behavior is somewhat similar to the TMU/CD3CN system. However, a noticeable feature is observed on the relationship between V-C equivalent to N band at 2254 cm(-1) and the delta(CH3) + VC -C band at 2292 cm(-1) of CH3CN: no cross peak was observed at (2254, 2292) in the 2D asynchronous spectrum. Mathematical analysis indicates that absence of the cross peak can occur only when the variation of the absorptivity of V-C equivalent to N., and that of delta(CH3) + VC-C band are in the same proportion. Thus, the DAOSD approach reveals an unexpected relationship on the spectral behavior of the vN and delta(CH3) + VC-C band under intermolecular interaction. (C) 2014 Elsevier B.V. All rights reserved.
KeywordDipole-dipole Interaction 2d Asynchronous Spectra Daosd
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
DOI10.1016/j.molstruc.2014.02.011
URL查看原文
Indexed BySCI
Language英语
WOS KeywordSAMPLE DESIGN SCHEME ; PROBING INTERMOLECULAR INTERACTIONS ; INFRARED CORRELATION SPECTROSCOPY ; SYNCHRONOUS SPECTROSCOPY ; IR SPECTROSCOPY ; LIQUID-CRYSTAL ; AOSD APPROACH ; MOLECULES ; DYNAMICS ; SPECTRUM
WOS Research AreaChemistry
WOS SubjectChemistry, Physical
WOS IDWOS:000337989900037
Citation statistics
Cited Times:18[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Version出版稿
Identifierhttp://ir.ipe.ac.cn/handle/122111/10879
Collection研究所(批量导入)
Affiliation1.Liaoning Univ Tradit Chinese Med, Coll Pharm, Shenyang 11660, Peoples R China
2.Peking Univ, Beijing Natl Lab Mol Sci, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China
3.Chinese Acad Med Sci, Inst Mat Med, Beijing 100050, Peoples R China
4.Peking Union Med Coll, Beijing 100050, Peoples R China
5.Inst Proc Engn, Beijing 100190, Peoples R China
6.Chinese Acad Sci, Beijing 100190, Peoples R China
7.Hebei Normal Univ, Coll Chem & Mat, Shijiazhuang 050016, Peoples R China
8.Chinese Acad Sci, Inst Chem, Beijing 100190, Peoples R China
9.Univ Delaware, Dept Mat Sci & Engn, Newark, DE 19716 USA
Recommended Citation
GB/T 7714
Bi, Quan,Chen, Jing,Li, Xiaopei,et al. Investigation on the dipole-dipole interactions between tetramethylurea and acetonitrile by two-dimensional asynchronous spectroscopy[J]. JOURNAL OF MOLECULAR STRUCTURE,2014,1069(1):264-271.
APA Bi, Quan.,Chen, Jing.,Li, Xiaopei.,Shi, Jia-jia.,Wang, Xiaomin.,...&Wu, Jinguang.(2014).Investigation on the dipole-dipole interactions between tetramethylurea and acetonitrile by two-dimensional asynchronous spectroscopy.JOURNAL OF MOLECULAR STRUCTURE,1069(1),264-271.
MLA Bi, Quan,et al."Investigation on the dipole-dipole interactions between tetramethylurea and acetonitrile by two-dimensional asynchronous spectroscopy".JOURNAL OF MOLECULAR STRUCTURE 1069.1(2014):264-271.
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