Titel: |
Titel:
CHF3 infrared absorption cross sections (single components)
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Autoren: |
Autoren:
Berezkin, Kirill, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.1. Allgemeine und Anorganische Chemie, ORCID: 0009-0000-8873-521XLi, Gang, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.1. Allgemeine und Anorganische Chemie, ORCID: 0000-0002-5605-7896 Lüttschwager, Nils O. B., Georg-August-Universität Göttingen, Göttingen, GERMANY, ORCID: 0000-0001-8459-1714 Kim, Mi Eon, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.4. Analytische Chemie der Gasphase, ORCID: 0000-0002-3024-2655 Bohlius, Henning, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.4. Analytische Chemie der Gasphase, ORCID: 0000-0003-0495-2554 Alle Autoren anzeigen (8) |
Beitragende: |
Beitragende:
HostingInstitution: Physikalisch-Technische Bundesanstalt (PTB), ISNI: 0000 0001 2186 1887
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Sprachen: |
Sprachen:
en
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DOI: |
DOI:
10.7795/720.20250709
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Art der Ressource: |
Art der Ressource:
PTB: Messdaten,
DINI: ResearchData,
DataCite: Dataset
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Verlag: |
Verlag:
Physikalisch-Technische Bundesanstalt (PTB)
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Rechte: |
Rechte:
https://creativecommons.org/licenses/by/4.0/CC-BY 4.0 International |
Beziehungen: |
Beziehungen:
IsSupplementTo: DOI 10.7795/720.20250708
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Datumsangaben: |
Datumsangaben:
Verfügbar:
2025-07-11
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Klassifikationen: |
Klassifikationen:
INSPEC A0765G IR spectroscopy and spectrometers ; INSPEC A3320E Infrared molecular spectra
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Datei: |
Datei:
Datei herunterladen
(application/zip)
5.9 MB
MD5 Prüfsumme: e34fe792f1a7a331b6d621bf16c5e58e SHA256 Prüfsumme: 6edc0c1989450249410c09ad5016c15e6c9d9c69344c0ad33c9d8e80bdca71d2 |
Stichwörter: |
Stichwörter:
CHF3 ;
fluoroform ;
HFC-23 ;
IR ;
absorption cross section ;
molecular vibration ;
fundamental vibration ;
combination vibration bands ;
measurement uncertainity ;
hot bands
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Zusammenfassung: |
Zusammenfassung:
This dataset contains infrared absorption cross section spectra of fluoroform (CHF3) in synthetic air at the temperatures 296.90(8) and 296.07(8), and various total and partial pressures in the wavenumber range of 600-1940cm-1. Every spectrum was splitted into 6 regions containing an isolated absorption feature, making a total of 12 *.dat files. Every single file contains a different number of spectra, representing only spectra used in the creation of the corresponding composite spectrum (available at https://doi.org/10.7795/720.20250708).
If the recorded experimental absorption at a certain wavenumber exceeded the cut-off limit (i.e., the spectrum was saturated), its uncertainty was set to 1.00E+10 and absorption cross section itself was set to zero to avoid misreading of empty values. In spectra 1b and 5b absorptions (and, subsequently, cross sections) were manually set to zero due to the remaining CF4 absorption feature around 1280 cm-1 (v3 band); the expanded uncertainties for these points were also manually changed to 1.00E+10 to exclude these points from consideration and weighted averaging. NB: the expanded uncertainty for single components does not include the uncertainty of the absorption path length! |
Inhaltsverzeichnis: |
Inhaltsverzeichnis:
Description of the individual files: Each file contains a three-line header in the following format: The 1st line is the column name (Wavenumber, Abs_Xsect, Exp_unc, ...), where Abs_Xsect stands for the absorption cross section and Exp_unc means the expanded uncertainty (k=2). The 2nd line contains the units of the corresponding quantities (cm^-1, cm^2/molecule, cm^2/molecule, ...). The 3rd line is assigned for column labeling: * the Wavenumber column has the "empty" label "--"; * Abs_Xsect columns are labeled in the following format: `[number of experimental spectrum]_[total pressure in hPa]_[partial pressure of CHF3 in hPa]`; * Exp_unc columns are labeled "2sigma" to indicate coverage factor of 2. Method: FTIR Format: .dat (TAB as column separator) Rcommended software: MS Excel, Origin (proprietary), or any text editor (e.g., Notepad) Parameters: in the filename in the following format: CHF3_[temperature in K]_[total pressure in Torr]_air_[wavenumber interval in cm-1]_[nominal resolution in cm-1]_components.dat and in the 3rd line of header for individual spectrum (see description of the individual files). |
Anderes: |
Anderes:
This work was done within the project “Metrology for climate relevant volatile organic compounds”, MetClimVOC. The project has received funding from EMPIR programme co-financed by the Participating States and from the European Union’s Horizon 2020 research and motivation programme.
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Förderung: |
Förderung:
European Commission (EC), ISNI: 0000 0001 2162 673X, Grant Title: Metrology for climate relevant volatile organic compounds, Grant Number: EMPIR 19ENV06 MetClimVOC
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-OAR