Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations
文献类型：期刊论文
| 作者 | Cao, Guo-Jin; Xu, Hong-Guang; Li, Ren-Zhong; Zheng, Weijun |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2012-01-07 |
| 卷号 | 136期号:1 |
| 关键词 | density functional theory gold compounds hydrogen bonds isomerism negative ions organic compounds photoelectron spectra |
| 英文摘要 | the nucleobase-gold complexes were studied with anion photoelectron spectroscopy and density functional calculations. the vertical detachment energies of uracil-au-, thymine-au-, cytosine-au-, adenine-au-, and guanine-au- were estimated to be 3.37 +/- 0.08 ev, 3.40 +/- 0.08 ev, 3.23 +/- 0.08 ev, 3.28 +/- 0.08 ev, and 3.43 +/- 0.08 ev, respectively, based on their photoelectron spectra. the combination of photoelectron spectroscopy experiments and density functional calculations reveals the presence of two or more isomers for these nucleobase-gold complexes. the major isomers detected in the experiments probably are formed by au anion with the canonical tautomers of the nucleobases. the gold anion essentially interacts with the nucleobases through n-h center dot center dot center dot au hydrogen bonds. (c) 2012 american institute of physics. [doi: 10.1063/1.3671945] |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | physics, atomic, molecular & chemical |
| 研究领域[WOS] | physics |
| 关键词[WOS] | correlated ab-initio ; nucleic-acid bases ; center-dot-au ; scanning-tunneling-microscopy ; transition-metal atoms ; dna bases ; gas-phase ; n-h ; microhydrated environment ; aqueous-solution |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000298967200017 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138047]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 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 | Cao, Guo-Jin,Xu, Hong-Guang,Li, Ren-Zhong,et al. Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations[J]. journal of chemical physics,2012,136(1). |
| APA | Cao, Guo-Jin,Xu, Hong-Guang,Li, Ren-Zhong,&Zheng, Weijun.(2012).Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations.journal of chemical physics,136(1). |
| MLA | Cao, Guo-Jin,et al."Hydrogen bonds in the nucleobase-gold complexes: Photoelectron spectroscopy and density functional calculations".journal of chemical physics 136.1(2012). |
入库方式： OAI收割
来源：大连化学物理研究所
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