Anharmonic vibrations of nucleobases: Structural basis of one- and two-dimensional infrared spectra for canonical and mismatched base pairs
文献类型：期刊论文
| 作者 | Wang GuiXiu; Zhao Juan; Wang JianPing |
| 刊名 | SCIENCE CHINA-CHEMISTRY
 |
| 出版日期 | 2011-10-01 |
| 卷号 | 54期号:10页码:1590-1606 |
| 关键词 | Quantum Chemical Computation Canonical Watson-crick Base Pair Mismatched Base Pair Anharmonic Vibration Infrared |
| ISSN号 | 1674-7291 |
| DOI | 10.1007/s11426-011-4309-8 |
| 英文摘要 | Canonical Watson-Crick base pairs and four representative mismatched base pairs have been studied by quantum chemical computations. Detailed anharmonic vibrational analysis was carried out to reveal some vibrational signatures characteristic of structural aspects of the base monomers and dimers, which were well manifested in simulated 1D IR and 2D IR spectra. The degree of delocalization of the selected normal modes, represented by the potential energy distribution, was found to vary significantly from isolated bases to H-bonded dimers, and was accompanied by changes in anharmonicities of these modes. Examples are given for the generally accepted carbonyl stretching mode of base pairs appearing in the 6-mu m wavelength region of IR spectra. |
| 语种 | 英语 |
| WOS记录号 | WOS:000296694900008 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/71893]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang JianPing |
| 作者单位 | Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Mol React Dynam, Inst Chem, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang GuiXiu,Zhao Juan,Wang JianPing. Anharmonic vibrations of nucleobases: Structural basis of one- and two-dimensional infrared spectra for canonical and mismatched base pairs[J]. SCIENCE CHINA-CHEMISTRY,2011,54(10):1590-1606. |
| APA | Wang GuiXiu,Zhao Juan,&Wang JianPing.(2011).Anharmonic vibrations of nucleobases: Structural basis of one- and two-dimensional infrared spectra for canonical and mismatched base pairs.SCIENCE CHINA-CHEMISTRY,54(10),1590-1606. |
| MLA | Wang GuiXiu,et al."Anharmonic vibrations of nucleobases: Structural basis of one- and two-dimensional infrared spectra for canonical and mismatched base pairs".SCIENCE CHINA-CHEMISTRY 54.10(2011):1590-1606. |
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来源：化学研究所
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