Home

Citation: FENG Wang-Sheng, FANG Yan, XU Ji-Xiang, FANG Chun-Hui, JIA Quan-Jie, WANG Huan-Hua, JIANG Xiao-Ming. Application of Gaussian Multi-Peak Fitting to Radial Distribution Function[J]. Acta Physico-Chimica Sinica, ;2008, 24(03): 497-501. doi: 10.3866/PKU.WHXB20080326 shu

Application of Gaussian Multi-Peak Fitting to Radial Distribution Function

1.
Qinghai Institute of Salt Lakes, Chinese Academy of Sciences, Xining 810008, P. R. China; Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049, P. R. China; Graduate School of the Chinese Academy of Sciences, Beijing 100049, P. R. China

Received Date: 25 September 2007
Available Online: 9 January 2008

Aqueous structures with salt to water molar ratios of 1:30 (Rb2SO4) and 1:14 (Cs2SO4) were measured by X-ray scattering of synchrotron radiation. The radial distribution functions (RDF) of the two example solutions were obtained by analyzing the scattering data. RDF overlapped peaks near the first hydration shell were dealt with Gaussian multi-peak fitting. The fitting data were agreed well with the experimental data. The adscription of every fitting peak was determined by comparing the fitting data with hydrated ion and crystal structure data reported in literatures. The analysis of fitting result indicates that the coordination number of Rb+ and Cs+ is six in the first hydration shell, and the spatial structures are both distorted octahedrons. The contact ion pairs of metal ions with sulphate ion exist in two solutions where the characteristic distances of Rb—S and Cs—S were determined to be 0.407 and 0.427 nm, respectively. The study demonstrated that multi-peak fitting was useful for interpreting the hydrated structure of ions.
- Synchrotron radiation; X-ray scattering; Radial distribution function; Multi-peak fitting; Hydrated structure
1. [1]
  Chongjing Liu , Yujian Xia , Pengjun Zhang , Shiqiang Wei , Dengfeng Cao , Beibei Sheng , Yongheng Chu , Shuangming Chen , Li Song , Xiaosong Liu . Understanding Solid-Gas and Solid-Liquid Interfaces through Near Ambient Pressure X-Ray Photoelectron Spectroscopy. Acta Physico-Chimica Sinica, 2025, 41(2): 100013-0. doi: 10.3866/PKU.WHXB202309036
2. [2]
  Wei Li , Guoqiang Feng , Ze Chang . Teaching Reform of X-ray Diffraction Using Synchrotron Radiation in Materials Chemistry. University Chemistry, 2024, 39(3): 29-35. doi: 10.3866/PKU.DXHX202308060
3. [3]
  Ruilin Han , Xiaoqi Yan . Comparison of Multiple Function Methods for Fitting Surface Tension and Concentration Curves. University Chemistry, 2024, 39(7): 381-385. doi: 10.3866/PKU.DXHX202311023
4. [4]
  Hongwei Ma , Hui Li . Three Methods for Structure Determination from Powder Diffraction Data. University Chemistry, 2024, 39(3): 94-102. doi: 10.3866/PKU.DXHX202310035
5. [5]
  Liang TANG , Jingfei NI , Kang XIAO , Xiangmei LIU . Synthesis and X-ray imaging application of lanthanide-organic complex-based scintillators. Chinese Journal of Inorganic Chemistry, 2024, 40(10): 1892-1902. doi: 10.11862/CJIC.20240139
6. [6]
  Yuqiao Zhou , Weidi Cao , Shunxi Dong , Lili Lin , Xiaohua Liu . Study on the Teaching Reformation of Practical X-ray Crystallography. University Chemistry, 2024, 39(3): 23-28. doi: 10.3866/PKU.DXHX202303003
7. [7]
  Shihao Tan , Caiyun Cui , Shuwei Ma , Liangsen Zhu , Xianguo Liu . Introducing nanocrystalline/amorphous heterostructures on laminated FeSiBCr to synchronously enhance absorption, expand absorption bandwidth and reduce matching thickness. Acta Physico-Chimica Sinica, 2026, 42(7): 100283-. doi: 10.1016/j.actphy.2026.100283
8. [8]
  Xiaoyu YANG , Yejun ZHANG , Yu ZOU , Hongchao YANG , Jiang JIANG , Qiangbin WANG . Research progress of inorganic X-ray nanoscintillators. Chinese Journal of Inorganic Chemistry, 2025, 41(10): 1929-1952. doi: 10.11862/CJIC.20250122
9. [9]
  Ming Guan , Xi Bai , Yuhua Ma , Fang Mi , Weigang Fan , Junjie Guo , Guixin Li , Yingbo Wang , Han Zeng , Jing Zeng , Lu Xiao , Yinping Li , Hong Du , Ya Gao . Exploration and Practice of Multi-School, Multi-Directional Synchronous Classrooms and Smart Teaching for Core Chemistry Courses at Xinjiang Normal University under the MOOC Westward Journey Initiative. University Chemistry, 2025, 40(11): 59-65. doi: 10.12461/PKU.DXHX202412123
10. [10]
  Xincan Zhou , Xueyao Wang , Xiaokang Chen , Di Lan , Yuting Gao , Xiaoxia Wang , Daohao Li , Shuchao Zhang , Lijie Zhang , Guanglei Wu . Charge redistribution on Pd mediated by electronically asymmetric carbon for boosting ethanol oxidation. Acta Physico-Chimica Sinica, 2026, 42(7): 100287-. doi: 10.1016/j.actphy.2026.100287
11. [11]
  Hongwei Ma , Fang Zhang , Hui Ai , Niu Zhang , Shaochun Peng , Hui Li . Integrated Crystallographic Teaching with X-ray,TEM and STM. University Chemistry, 2024, 39(3): 5-17. doi: 10.3866/PKU.DXHX202308107
12. [12]
  Xiwen Xing , Muyi Guo , Zhuoran Hu , Shunchun Yao , Yao Sun . Context-Driven Teaching with Cue-Guided Reasoning: Taking X-Ray Teaching Practice as an Example. University Chemistry, 2025, 40(7): 141-147. doi: 10.12461/PKU.DXHX202409097
13. [13]
  Lingling Li , Zhe Chen . Charge transfer mechanism investigation of S-scheme photocatalyst using soft X-ray absorption spectroscopy. Acta Physico-Chimica Sinica, 2026, 42(4): 100215-0. doi: 10.1016/j.actphy.2025.100215
14. [14]
  Yi RU , Tao MENG , Zhaoteng XUE , Dongsen MAO . Synergistic catalysis of Al distribution and pore structure in ZSM-5 zeolite for bioethanol-to-propylene. Chinese Journal of Inorganic Chemistry, 2026, 42(2): 247-262. doi: 10.11862/CJIC.20250255
15. [15]
  Xin MA , Ya SUN , Na SUN , Qian KANG , Jiajia ZHANG , Ruitao ZHU , Xiaoli GAO . A Tb₂ complex based on polydentate Schiff base: Crystal structure, fluorescence properties, and biological activity. Chinese Journal of Inorganic Chemistry, 2024, 40(7): 1347-1356. doi: 10.11862/CJIC.20230357
16. [16]
  Ruiyun Liu , Ping Wang , Xuefei Wang , Feng Chen , Huogen Yu . Work-function-engineered Mo 4d electronic structure modulation in Mo₂C MXene cocatalyst for efficient photocatalytic H₂ evolution. Acta Physico-Chimica Sinica, 2025, 41(11): 100137-0. doi: 10.1016/j.actphy.2025.100137
17. [17]
  Xuhu GUO , Chuntao ZHANG , Jinshu LI , Yuanyuan TAN , Qaiowen CHANG , Juan YU . Structure and catalytic performance of [Pd(1, 5-cyclooctadiene)X₂] (X=Cl, Br) modulated by organophosphine ligands. Chinese Journal of Inorganic Chemistry, 2026, 42(6): 1247-1260. doi: 10.11862/CJIC.20250299
18. [18]
  Weifeng HUANG , Jingteng FENG , Xin WANG , Zhilong XU , Jiaxin LI , Guanghui SUN , Yan SUN , Yao SUN , Xi LIU , Yinfeng CHENG , Guangri XU , Li YANG . In-situ self-assembly of hydrated vanadium pentoxide on Zn foil for stable Zn anodes. Chinese Journal of Inorganic Chemistry, 2026, 42(3): 562-570. doi: 10.11862/CJIC.20250267
19. [19]
  Kaixin Lai , Ke Wang , Xinwei Tang , Tian Sun , Yan Li , Zhiwei Hu , Wei Li , Wei Hong , Wenkai Chen , Xinyi Jiang , Zicheng Wang , Tianxi Liu . Selective thermal radiation polyimide composite fabric for efficient infrared stealth and electromagnetic protection. Acta Physico-Chimica Sinica, 2026, 42(7): 100272-. doi: 10.1016/j.actphy.2026.100272
20. [20]
  Jinghua Wang , Yanxin Yu , Yanbiao Ren , Yesheng Wang . Integration of Science and Education: Investigation of Tributyl Citrate Synthesis under the Promotion of Hydrate Molten Salts for Research and Innovation Training. University Chemistry, 2024, 39(11): 232-240. doi: 10.3866/PKU.DXHX202402057

Get Citation

PDF

XML

Metrics

PDF Downloads(3058)
Abstract views(5059)
HTML views(197)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return