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@ARTICLE{Taatjes:902267,
      author       = {Taatjes, Craig A. and Caravan, Rebecca L. and Winiberg,
                      Frank A. F. and Zuraski, Kristen and Au, Kendrew and Sheps,
                      Leonid and Osborn, David L. and Vereecken, Luc and Percival,
                      Carl J.},
      title        = {{I}nsertion products in the reaction of carbonyl oxide
                      {C}riegee intermediates with acids:
                      {C}hloro(hydroperoxy)methane formation from reaction of {CH}
                      2 {OO} with {HC}l and {DC}l},
      journal      = {Molecular physics},
      volume       = {119},
      number       = {17-18},
      issn         = {1362-3028},
      address      = {London},
      publisher    = {Taylor $\&$ Francis},
      reportid     = {FZJ-2021-04130},
      pages        = {e1975199},
      year         = {2021},
      abstract     = {The reactions of carbonyl oxide Criegee intermediates with
                      acids proceed predominantly by an insertion mechanism. We
                      characterise the products from one of the simplest reactions
                      of carbonyl oxides with inorganic acids, CH2OO + hydrogen
                      chloride, which occurs via a 1,2-insertion in the H–Cl
                      bond. Reactions of both HCl and DCl isotopologues yield
                      product signal at the mass of the insertion product
                      chloro(hydroperoxy)methane and a dissociative ionisation
                      peak at the mass of the protonated (or deuteronated) Criegee
                      intermediate. The isotopic composition of the insertion
                      product has been measured for reaction mixtures where both
                      HCl isotopologues are present, and the H/D ratio of the
                      product is consistently higher (by a factor of
                      1.6 ± 0.3) than that of the reactants. This isotope
                      selectivity in the products has smaller uncertainty than the
                      ratio of measured rate coefficients and suggests a normal
                      (kH > kD) kinetic isotope effect in the reaction.
                      Theoretical kinetics calculations predict a small normal
                      kinetic isotope effect for the overall reaction (kH /
                      kD = 1.35 at 20 Torr N2 and kH / kD = 1.2 at 1 atm
                      N2) but predict a substantial inverse kinetic isotope effect
                      (kD > kH) for the stabilisation fraction, in disagreement
                      with the experimental observation.},
      cin          = {IEK-8},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {2111 - Air Quality (POF4-211)},
      pid          = {G:(DE-HGF)POF4-2111},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000696477300001},
      doi          = {10.1080/00268976.2021.1975199},
      url          = {https://juser.fz-juelich.de/record/902267},
}