Titel:
Titel:
CHF3 infrared absorption cross sections (single components)
Autoren:
Autoren:
Berezkin, Kirill, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.1. Allgemeine und Anorganische Chemie, ORCID: 0009-0000-8873-521X
Li, 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
Sprachen:
Sprachen:
en
DOI:
DOI:
10.7795/720.20250709
Art der Ressource:
Art der Ressource:
PTB: Messdaten, DINI: ResearchData, DataCite: Dataset
Verlag:
Verlag:
Physikalisch-Technische Bundesanstalt (PTB)
Rechte:
Rechte:
https://creativecommons.org/licenses/by/4.0/
CC-BY 4.0 International
Beziehungen:
Beziehungen:
IsSupplementTo: DOI 10.7795/720.20250708
Datumsangaben:
Datumsangaben:
Verfügbar: 2025-07-11
Klassifikationen:
Klassifikationen:
INSPEC A0765G IR spectroscopy and spectrometers ; INSPEC A3320E Infrared molecular spectra
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
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.
Förderung:
Förderung:
European Commission (EC), ISNI: 0000 0001 2162 673X, Grant Title: Metrology for climate relevant volatile organic compounds, Grant Number: EMPIR 19ENV06 MetClimVOC

Autoren

Berezkin, Kirill, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.1. Allgemeine und Anorganische Chemie, ORCID: 0009-0000-8873-521X
Li, 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
Ebert, Volker, Physikalisch-Technische Bundesanstalt (PTB), 3.01 Metrologische Grundlagen der Gasanalytik, ORCID: 0000-0002-1394-3097
Harrison, Jeremy J., School of Physics and Astronomy, University of Leicester, Leicester, United Kingdom; National Centre for Earth Observation, Leicester, United Kingdom, ORCID: 0000-0001-5530-7104
Lüttschwager (Domanskaya), Alexandra, Physikalisch-Technische Bundesanstalt (PTB), Fachbereich 3.1. Allgemeine und Anorganische Chemie, ORCID: 0000-0002-3934-6805

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