Investigation of Compton profiles of NO and C2H2
文献类型：期刊论文
| 作者 | Ma, YP; Zhao, XL; Liu, YW; Xu, LQ; Kang, X; Ni, DD; Yan, S; Zhu, LF; Yang, K |
| 刊名 | ACTA PHYSICA SINICA
 |
| 出版日期 | 2015 |
| 卷号 | 64期号:15页码:— |
| 关键词 | X-RAYS SCATTERING DENSITY N2 NE O2 |
| ISSN号 | 1000-3290 |
| 通讯作者 | Zhu, LF (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China. |
| 英文摘要 | The Compton profiles of nitric oxide and acetylene molecules have been determined at an incident photon energy of 20 keV. Compton profile measurements are carried out with the beamline BL15U1 at the Shanghai Synchrotron Radiation Facility (SSRF). A dedicated gas cell is used, in which diffuse scattering is effectively suppressed. By considering that the statistical accuracy of 0.2% at p(z) approximate to 0 is achieved, the Compton profiles of NO and C2H2 determined in this paper can serve as the experimental benchmark data. Furthermore, the density functional theory (DFT) and HF calculation for different basis sets are used to calculate the Compton profiles of nitric oxide and acetylene. It is found that the DFT calculations with the diffuse basis sets are closer to the experimental results, indicating that the electronic density distribution of nitric oxide is more diffuse. For acetylene, the HF calculation is of better agreement with the experimental result. To better understand Compton profiles, we have compared them with distributions of electron density by theoretical calculation. There are clear correspondences between them: diffuse distribution is related to the localized profile and complex structure in electron density distribution, which also shows a subtle structure in profile. The present Compton profiles of nitric oxide and acetylene molecules achieved by synchrotron radiation are the most accurate up to now, as far as we know. |
| 语种 | 英语 |
| WOS记录号 | WOS:000362976600010 |
| 公开日期 | 2016-03-08 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/24970]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Ma, YP,Zhao, XL,Liu, YW,et al. Investigation of Compton profiles of NO and C2H2[J]. ACTA PHYSICA SINICA,2015,64(15):—. |
| APA | Ma, YP.,Zhao, XL.,Liu, YW.,Xu, LQ.,Kang, X.,...&Yang, K.(2015).Investigation of Compton profiles of NO and C2H2.ACTA PHYSICA SINICA,64(15),—. |
| MLA | Ma, YP,et al."Investigation of Compton profiles of NO and C2H2".ACTA PHYSICA SINICA 64.15(2015):—. |
入库方式： OAI收割
来源：上海应用物理研究所
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