Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers

<p>Identification of atmospheric molecular clusters and measurement of their concentrations by atmospheric pressure interface time-of-flight (APi-TOF) mass spectrometers may be affected by systematic error due to possible decomposition of clusters inside the instrument. Here, we perform numeri...

Full description

Bibliographic Details
Main Authors: T. Zanca, J. Kubečka, E. Zapadinsky, M. Passananti, T. Kurtén, H. Vehkamäki
Format: Article
Language:English
Published: Copernicus Publications 2020-07-01
Series:Atmospheric Measurement Techniques
Online Access:https://www.atmos-meas-tech.net/13/3581/2020/amt-13-3581-2020.pdf
_version_ 1819028878658633728
author T. Zanca
J. Kubečka
E. Zapadinsky
M. Passananti
M. Passananti
T. Kurtén
H. Vehkamäki
author_facet T. Zanca
J. Kubečka
E. Zapadinsky
M. Passananti
M. Passananti
T. Kurtén
H. Vehkamäki
author_sort T. Zanca
collection DOAJ
description <p>Identification of atmospheric molecular clusters and measurement of their concentrations by atmospheric pressure interface time-of-flight (APi-TOF) mass spectrometers may be affected by systematic error due to possible decomposition of clusters inside the instrument. Here, we perform numerical simulations of decomposition in an APi-TOF mass spectrometers and formation in the atmosphere of a set of clusters which involve a representative kind of highly oxygenated organic molecule (HOM), with the molecular formula <span class="inline-formula">C<sub>10</sub>H<sub>16</sub>O<sub>8</sub></span>. This elemental composition corresponds to one of the most common mass peaks observed in experiments on ozone-initiated autoxidation of <span class="inline-formula"><i>α</i></span>-pinene. Our results show that decomposition is highly unlikely for the considered clusters, provided their bonding energy is large enough to allow formation in the atmosphere in the first place.</p>
first_indexed 2024-12-21T06:05:22Z
format Article
id doaj.art-010c52732a2a4469970e9d25f896dc0b
institution Directory Open Access Journal
issn 1867-1381
1867-8548
language English
last_indexed 2024-12-21T06:05:22Z
publishDate 2020-07-01
publisher Copernicus Publications
record_format Article
series Atmospheric Measurement Techniques
spelling doaj.art-010c52732a2a4469970e9d25f896dc0b2022-12-21T19:13:39ZengCopernicus PublicationsAtmospheric Measurement Techniques1867-13811867-85482020-07-01133581359310.5194/amt-13-3581-2020Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometersT. Zanca0J. Kubečka1E. Zapadinsky2M. Passananti3M. Passananti4T. Kurtén5H. Vehkamäki6Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014 Helsinki, FinlandInstitute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014 Helsinki, FinlandInstitute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014 Helsinki, FinlandInstitute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014 Helsinki, FinlandDipartimento di Chimica, Università di Torino, via Giuria 5, 10125 Torino, ItalyInstitute for Atmospheric and Earth System Research/Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, 00014 Helsinki, FinlandInstitute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014 Helsinki, Finland<p>Identification of atmospheric molecular clusters and measurement of their concentrations by atmospheric pressure interface time-of-flight (APi-TOF) mass spectrometers may be affected by systematic error due to possible decomposition of clusters inside the instrument. Here, we perform numerical simulations of decomposition in an APi-TOF mass spectrometers and formation in the atmosphere of a set of clusters which involve a representative kind of highly oxygenated organic molecule (HOM), with the molecular formula <span class="inline-formula">C<sub>10</sub>H<sub>16</sub>O<sub>8</sub></span>. This elemental composition corresponds to one of the most common mass peaks observed in experiments on ozone-initiated autoxidation of <span class="inline-formula"><i>α</i></span>-pinene. Our results show that decomposition is highly unlikely for the considered clusters, provided their bonding energy is large enough to allow formation in the atmosphere in the first place.</p>https://www.atmos-meas-tech.net/13/3581/2020/amt-13-3581-2020.pdf
spellingShingle T. Zanca
J. Kubečka
E. Zapadinsky
M. Passananti
M. Passananti
T. Kurtén
H. Vehkamäki
Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
Atmospheric Measurement Techniques
title Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
title_full Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
title_fullStr Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
title_full_unstemmed Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
title_short Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
title_sort highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time of flight mass spectrometers
url https://www.atmos-meas-tech.net/13/3581/2020/amt-13-3581-2020.pdf
work_keys_str_mv AT tzanca highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT jkubecka highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT ezapadinsky highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT mpassananti highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT mpassananti highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT tkurten highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers
AT hvehkamaki highlyoxygenatedorganicmoleculeclusterdecompositioninatmosphericpressureinterfacetimeofflightmassspectrometers