| Title: | NEXAFS Spectra in Fluorescence and Transmission Mode of Organo-Sulfur Compounds with varying Sulfur Strand Length |
| Authors: |
Skudler, Konstantin, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 7.2, Röntgenmesstechnik mit Synchrotronstrahlung, ORCID: 0009-0003-3981-5709 Müller, Matthias, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 7.2, Röntgenmesstechnik mit Synchrotronstrahlung, ORCID: 0000-0003-0115-7854 |
| Contributors: | HostingInstitution: Physikalisch-Technische Bundesanstalt (PTB), ISNI: 0000 0001 2186 1887 |
| Language: | en |
| DOI: | 10.7795/720.20241009 |
| Resource Type: | Dataset / Measurement Data |
| Publisher: | Physikalisch-Technische Bundesanstalt (PTB) |
| Rights: |
https://creativecommons.org/licenses/by/4.0/ CC-BY 4.0 International |
| Relationships: | IsDocumentedBy: DOI https://doi.org/10.1039/D4JA00232F IsSourceOf: DOI https://doi.org/10.1039/D3CP02285D |
| Dates: |
Available: 2024-10-09 |
| Classifications: | INSPEC A30 Atomic and molecular physics |
| File: |
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MD5 Checksum: 82eb374b4ee25ea35f2f479e67cef663 SHA256 Checksum: 75673b38da575fd59692ca7a0a080f74b5a686a6ea3c1636b180f1c948f0ba3b |
| Keywords | X-ray spectrometry ; X-ray spectroscopy ; near edge X-ray absorption fine structure ; X-ray absorption fine structure ; organo-sulfur ; sulfur strand length |
| Abstract: | This dataset includes NEXAFS spectra of organo-sulfur compounds with varying sulfur strand length from 1 to 3. The NEXAFS spectra were taken in fluorescence and transmission mode. All of the spectra have been taken at the FCM beamline in the PTB laboratory at BESSY II using Si (111) crystals. All experimental setup details are described in the manuscript "Self-Absorption Correction of NEXAFS Spectra for Intermediate Sample Thicknesses applied to Organo-Sulfur Model Compounds". In this manuscript, the data have been analyzed regarding the self-absorption effect, except for the DMDS data because of a leakage of the respective cell. The data from 2022 also appear in "NEXAFS spectra of model sulfide chains: implications for sulfur networks obtained from inverse vulcanization", yet without the self-absorption correction applied. In this manuscript, the spectroscopic signature of the organo-sulfur compounds was analyzed in detail. |
| Table of Contents: | The data files contain NEXAFS data for three different liquids (DPS = dipropyl sulfide; DPDS = dipropyl disulfide; DMTS = dimethyl trisulfide) in two different detection modes (fluorescence and transmission), varying fluorescence detection angles (60° and 90°) and different sample thicknesses: "thick": about 3 mm; negligible transmission, saturated fluorescence self-absorption; "intermediate": about 1 µm (molecule-dependent); detectable transmission, moderate fluorescence self-absorption. All Spectra were taken at the Four Crystal Monochromator (FCM) beamline in PTB laboratory at BESSY II, using an energy-dispersive silicon drift detector (SDD) for the fluorescence spectra and a photodiode for the transmission spectra. The results are sorted in the data files as follows: "2022_NEXAFS_xxxxx.txt": intermediate and thick samples, only fluorescence measurement, fluorescence detection angle = 60° "2024_NEXAFS_xxxxx.txt": only intermediate sample, fluorescence and transmission measurement, fluorescence detection angle = 90° |
| Other: | We acknowledge funding by the German Research Foundation (DFG) through the Priority Programme “Polymer-based Batteries” (SPP 2248) under the projects CH 2376/2-1, MU 4632/1-1, WA 1687/12-1, MU 4632/1-2, SO 1213/17-2 and WA 1687/12-2. |
| Funding: | Deutsche Forschungsgemeinschaft (DFG), ISNI: 0000 0001 2096 9829, Grant Title: Novel Li-S batteries with dual redox couples: design, synthesis, in operando X-ray studies and theoretical modelling, Grant Number: SPP 2248 |