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

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Zanca , T , Kubecka , J , Zapadinsky , E , Passananti , M , Kurten , T & Vehkamäki , H 2020 , ' Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers ' , Atmospheric Measurement Techniques , vol. 13 , no. 7 , pp. 3581-3593 . https://doi.org/10.5194/amt-13-3581-2020

Title: Highly oxygenated organic molecule cluster decomposition in atmospheric pressure interface time-of-flight mass spectrometers
Author: Zanca, Tommaso; Kubecka, Jakub; Zapadinsky, Evgeni; Passananti, Monica; Kurten, Theo; Vehkamäki, Hanna
Contributor organization: INAR Physics
Department of Chemistry
Institute for Atmospheric and Earth System Research (INAR)
Date: 2020-07-03
Language: eng
Number of pages: 13
Belongs to series: Atmospheric Measurement Techniques
ISSN: 1867-1381
DOI: https://doi.org/10.5194/amt-13-3581-2020
URI: http://hdl.handle.net/10138/320666
Abstract: 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 C10H16O8. This elemental composition corresponds to one of the most common mass peaks observed in experiments on ozone-initiated autoxidation of alpha-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.
Subject: 116 Chemical sciences
114 Physical sciences
BASIS-SETS
CHEMISTRY
NUCLEATION
OPTIMIZATION
STABILITY
SULFURIC-ACID
Peer reviewed: Yes
Rights: cc_by
Usage restriction: openAccess
Self-archived version: publishedVersion


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