CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
Investigation of Compton profiles of NO and C2H2
Ma, YP; Zhao, XL; Liu, YW; Xu, LQ; Kang, X; Ni, DD; Yan, S; Zhu, LF; Yang, K; Zhu, LF (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
2015
Source PublicationACTA PHYSICA SINICA
ISSN1000-3290
Volume64Issue:15Pages:
Subtype期刊文献
AbstractThe 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.
KeywordX-rays Scattering Density N2 Ne O2
Language英语
WOS IDWOS:000362976600010
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/24970
Collection中科院上海应用物理研究所2011-2019年
Corresponding AuthorZhu, LF (reprint author), Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China.
Recommended Citation
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.,...&Zhu, LF .(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):—.
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