• Login
     
    View Item 
    •   ORFEO Home
    • Royal Belgian Institute for Space Aeronomy
    • BIRA-IASB publications
    • View Item
    •   ORFEO Home
    • Royal Belgian Institute for Space Aeronomy
    • BIRA-IASB publications
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with some monoterpene oxidation products

    View/Open
    Schoon(2004a).pdf (126.6Kb)
    Authors
    Schoon, N.
    Amelynck, C.
    Vereecken, L.
    Coeckelberghs, H.
    Arijs, E.
    Show allShow less
    Discipline
    Earth and related Environmental sciences
    Subject
    4 acetyl 1 methylcyclohexene
    alpha pinene oxide
    caronaldehyde
    hydrogen
    nitric oxide
    nopinone
    oxygen
    pinoaldehyde
    terpene
    unclassified drug
    article
    chemical reaction kinetics
    flow kinetics
    ion current
    mass spectrometry
    oxidation
    polymerization
    proton transport
    quantum chemistry
    Audience
    Scientific
    Date
    2004
    Metadata
    Show full item record
    Description
    We have studied the reactions of H 3O +, NO + and O 2 + with five oxidation products of monoterpenes: pinonaldehyde (oxidation product of α-pinene), nopinone (β-pinene), α-pinene oxide (α-pinene), 4-acetyl-1-methylcyclohexene (d-limonene) and caronaldehyde (Δ 3-carene). It was found that all reactions studied proceed with a rate constant close to the collision rate constant, calculated with the parameterized equation of Su and Chesnavich. The dipole moment and polarizability of the neutral reactants, needed for the calculation of these collision rate constants, were determined by quantum chemical calculations. Analysis of the ion product spectra shows that H 3O + reacts with 4-acetyl-1-methylcyclohexene and nopinone by non-dissociative proton transfer. The major channel of the reaction of H 3O + with α-pinene oxide, pinonaldehyde and caronaldehyde is elimination of a water molecule following protonation. The reaction of NO + with 4-acetyl-1-methylcyclohexene and nopinone is mainly determined by charge transfer. Charge transfer is also observed in the reaction of NO + with α-pinene oxide, pinonaldehyde and caronaldehyde, as well as a series of fragment ions. A non-negligible hydride ion transfer channel also occurs in the product spectra of NO + with pinonaldehyde. For the NO +-nopinone and NO +-caronaldehyde reaction also three-body association is observed. The product spectra of O 2 + with the neutral reactants show multiple products, mainly characterized by charge transfer and fragmentation, and are less suited to be used for CIMS detection of the monoterpene oxidation products.
    Citation
    Schoon, N.; Amelynck, C.; Vereecken, L.; Coeckelberghs, H.; Arijs, E. (2004). A selected ion flow tube study of the reactions of H3O+, NO+ and O2+ with some monoterpene oxidation products. , International Journal of Mass Spectrometry, Vol. 239, Issue 1, 7-16, DOI: 10.1016/j.ijms.2004.09.003.
    Identifiers
    uri: https://orfeo.belnet.be/handle/internal/5074
    doi: http://dx.doi.org/10.1016/j.ijms.2004.09.003
    scopus: 2-s2.0-9644278187
    Type
    Article
    Peer-Review
    Yes
    Language
    eng
    Links
    NewsHelpdeskBELSPO OA Policy

    Browse

    All of ORFEOCommunities & CollectionsBy Issue DateAuthorsTitlesDisciplinesThis CollectionBy Issue DateAuthorsTitlesDisciplines
     

    DSpace software copyright © 2002-2016  DuraSpace
    Send Feedback | Cookie Information
    Theme by 
    Atmire NV