IHEP OpenIR  > 多学科研究中心
Alternative difference analysis scheme combining R-space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy
Zhan F(展飞); Tao Y(陶冶); Zhao HF(赵海峰); Zhan, F; Tao, Y; Zhao, HF
2017
Source PublicationJOURNAL OF SYNCHROTRON RADIATION
ISSN1600-5775
Volume24Pages:818-824
SubtypeArticle
AbstractTime-resolved X-ray absorption spectroscopy (TR-XAS), based on the laser-pump/X-ray-probe method, is powerful in capturing the change of the geometrical and electronic structure of the absorbing atom upon excitation. TR-XAS data analysis is generally performed on the laser-on minus laser-off difference spectrum. Here, a new analysis scheme is presented for the TR-XAS difference fitting in both the extended X-ray absorption fine-structure (EXAFS) and the X-ray absorption near-edge structure (XANES) regions. R-space EXAFS difference fitting could quickly provide the main quantitative structure change of the first shell. The XANES fitting part introduces a global non-derivative optimization algorithm and optimizes the local structure change in a flexible way where both the core XAS calculation package and the search method in the fitting shell are changeable. The scheme was applied to the TR-XAS difference analysis of Fe(phen)(3) spin crossover complex and yielded reliable distance change and excitation population.
Keyworddifference XAFS fit global optimization R-space core/shell substitution TR-XAS
DOI10.1107/S1600577517005719
WOS KeywordCRYSTAL-STRUCTURE PREDICTION ; TRIPLET EXCITED-STATE ; SPIN-STATE ; DYNAMICS ; ALGORITHMS ; SPECTRA ; DISTORTIONS ; COMPLEX ; MODEL
Indexed BySCI ; EI ; PUBMED ; SCOPUS
Language英语
WOS Research AreaInstruments & Instrumentation ; Optics ; Physics
WOS SubjectInstruments & Instrumentation ; Optics ; Physics, Applied
WOS IDWOS:000404629100012
EI Accession Number20172703887532
EI KeywordsAbsorption spectra - Atom lasers - Electronic structure - Extended X ray absorption fine structure spectroscopy - Global optimization - Iron compounds - Laser excitation - Pumping (laser) - Shape optimization - X ray absorption near edge structure spectroscopy
EI Classification Number711.2 Electromagnetic Waves in Relation to Various Structures - 744.1 Lasers, General - 744.9 Laser Applications - 921.5 Optimization Techniques - 931.3 Atomic and Molecular Physics
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ihep.ac.cn/handle/311005/284944
Collection多学科研究中心
Affiliation中国科学院高能物理研究所
First Author AffilicationInstitute of High Energy
Recommended Citation
GB/T 7714
Zhan F,Tao Y,Zhao HF,et al. Alternative difference analysis scheme combining R-space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy[J]. JOURNAL OF SYNCHROTRON RADIATION,2017,24:818-824.
APA 展飞,陶冶,赵海峰,Zhan, F,Tao, Y,&Zhao, HF.(2017).Alternative difference analysis scheme combining R-space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy.JOURNAL OF SYNCHROTRON RADIATION,24,818-824.
MLA 展飞,et al."Alternative difference analysis scheme combining R-space EXAFS fit with global optimization XANES fit for X-ray transient absorption spectroscopy".JOURNAL OF SYNCHROTRON RADIATION 24(2017):818-824.
Files in This Item:
File Name/Size DocType Version Access License
20170040.pdf(1065KB)期刊论文出版稿限制开放CC BY-NC-SAApplication Full Text
20170040-A.pdf(1083KB)期刊论文出版稿限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[展飞]'s Articles
[陶冶]'s Articles
[赵海峰]'s Articles
Baidu academic
Similar articles in Baidu academic
[展飞]'s Articles
[陶冶]'s Articles
[赵海峰]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[展飞]'s Articles
[陶冶]'s Articles
[赵海峰]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.