Structural basis for the discrepancy of spectral behavior in C-H stretching band between steroids and long chain hydrocarbon compounds
文献类型：期刊论文
| 作者 | Xu, YZ; Tao, J; Xu, ZH; Weng, SF; Xu, JP; Soloway, RD; Wu, JG; Xu, DF; Xu, GX |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 1999-04-01 |
| 卷号 | 42期号:2页码:178-184 |
| 关键词 | Molecular Mechanics Ft-ir C-h Stretching Band Steroid |
| ISSN号 | 1006-9291 |
| 英文摘要 | The discrepancies of the spectral behavior for the C-H stretching band between some long chain hydrocarbon compounds and steroids were investigated. At low temperature, the C-H stretching bands exhibit complex fine structure in steroids but remain simple in long chain hydrocarbon compounds. MM3 molecular mechanics calculation indicates that, for long chain hydrocarbon compounds, the C-H groups vibrate with large scale coupling. There exist a few bands where the C-H groups vibrate in synchronous and inphase mode. Thus the variations of dipole moment for these bands are enhanced and the intensities are obviously stronger than others and ax er other band in the spectra. This is just the reason why the C-H stretching bands are simple even at low temperature environment. Nevertheless, for the steroids, the C-H stretching bands vibrate with local coupling mode. The synchronous enhancement effect does not occur, the differences of intensities for various modes are not as large as those in long chain hydrocarbon compounds. Hence the fine spectral structure could be observed in cryogenic FT-IR spectra. The structural basis for the above phenomenon is that the C-H groups in long chain hydrocarbon compound exist in the similar microenvironment, while the C-H group occurred in different microenvironment for steroids. |
| 语种 | 英语 |
| WOS记录号 | WOS:000080130100010 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75295]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wu, JG |
| 作者单位 | 1.Beijing Univ, Dept Chem, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China 2.Univ Texas, Med Branch, Galveston, TX 77550 USA 3.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, YZ,Tao, J,Xu, ZH,et al. Structural basis for the discrepancy of spectral behavior in C-H stretching band between steroids and long chain hydrocarbon compounds[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,1999,42(2):178-184. |
| APA | Xu, YZ.,Tao, J.,Xu, ZH.,Weng, SF.,Xu, JP.,...&Xu, GX.(1999).Structural basis for the discrepancy of spectral behavior in C-H stretching band between steroids and long chain hydrocarbon compounds.SCIENCE IN CHINA SERIES B-CHEMISTRY,42(2),178-184. |
| MLA | Xu, YZ,et al."Structural basis for the discrepancy of spectral behavior in C-H stretching band between steroids and long chain hydrocarbon compounds".SCIENCE IN CHINA SERIES B-CHEMISTRY 42.2(1999):178-184. |
入库方式： OAI收割
来源：化学研究所
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