Methylation Mediated Anharmonic Vibrational Signature of Nucleobases: A Case Study of Uracil and Thymine
文献类型：期刊论文
| 作者 | Wang, Guixiu1,2; Li, Fenghai1; Zhao, Juan1,2; Wu, Yifang1; Wang, Jianping2,3 |
| 刊名 | CHEMISTRYSELECT
 |
| 出版日期 | 2018-04-30 |
| 卷号 | 3期号:16页码:4374-4381 |
| 关键词 | Anharmonicities Ftir Thymine Uracil Vibrational Coupling |
| ISSN号 | 2365-6549 |
| DOI | 10.1002/slct.201800080 |
| 英文摘要 | The vibrational spectra of uracil and thymine in the frequency range of 1600 - 1800cm(-1), which mainly contains the C=C and C=O stretching vibration modes, are found to be distinct due to a simple insertion of a methyl group. The nature of these vibrational modes in both molecules was examined through linear infrared spectroscopy and DFT calculations. Anharmonic calculation reveals a generally stronger couplings between pair-wise C=O modes and also between C=O and C=C modes in uracil than in thymine, agreeing reasonably with previously reported two-dimensional infrared experimental results. Vibrational transition density cube and vibrational potential energy distributions analyses suggest that methylation causes more localization of the carbonyl stretching modes in thymine, which is the main reason of the observed spectral differences between the two molecules. |
| 语种 | 英语 |
| WOS记录号 | WOS:000431626800035 |
| 出版者 | WILEY-V C H VERLAG GMBH |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/43239]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, Guixiu; Zhao, Juan; Wang, Jianping |
| 作者单位 | 1.Heze Univ, Chem & Chem Engn Coll, Daxue Rd 2269, Heze 274015, Shandong, Peoples R China 2.Chinese Acad Sci, Inst Chem, Mol React Dynam Lab, CAS Res Educ Ctr Excellence Mol Sci, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Guixiu,Li, Fenghai,Zhao, Juan,et al. Methylation Mediated Anharmonic Vibrational Signature of Nucleobases: A Case Study of Uracil and Thymine[J]. CHEMISTRYSELECT,2018,3(16):4374-4381. |
| APA | Wang, Guixiu,Li, Fenghai,Zhao, Juan,Wu, Yifang,&Wang, Jianping.(2018).Methylation Mediated Anharmonic Vibrational Signature of Nucleobases: A Case Study of Uracil and Thymine.CHEMISTRYSELECT,3(16),4374-4381. |
| MLA | Wang, Guixiu,et al."Methylation Mediated Anharmonic Vibrational Signature of Nucleobases: A Case Study of Uracil and Thymine".CHEMISTRYSELECT 3.16(2018):4374-4381. |
入库方式： OAI收割
来源：化学研究所
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