% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Decker:830354,
      author       = {Decker, Z. C. J. and Au, K. and Vereecken, L. and Sheps,
                      L.},
      title        = {{D}irect experimental probing and theoretical analysis of
                      the reaction between the simplest {C}riegee intermediate
                      {CH} 2 {OO} and isoprene},
      journal      = {Physical chemistry, chemical physics},
      volume       = {19},
      number       = {12},
      issn         = {1463-9084},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {FZJ-2017-03918},
      pages        = {8541 - 8551},
      year         = {2017},
      abstract     = {Recent advances in the spectroscopy of Criegee
                      intermediates (CI) have enabled direct kinetic studies of
                      these highly reactive chemical species. The impact of CI
                      chemistry is currently being incorporated into atmospheric
                      models, including their reactions with trace organic and
                      inorganic compounds. Isoprene, C5H8, is a doubly-unsaturated
                      hydrocarbon that accounts for the largest share of all
                      biogenic emissions around the globe and is also a building
                      block of larger volatile organic compounds. We report direct
                      measurements of the reaction of the simplest CI (CH2OO) with
                      isoprene, using time-resolved cavity-enhanced UV absorption
                      spectroscopy. We find the reaction to be
                      pressure-independent between 15–100 Torr, with a rate
                      coefficient that varies from (1.5 ± 0.1) × 10−15 cm3
                      molecule−1 s−1 at room temperature to (23 ± 2) ×
                      10−15 cm3 molecule−1 s−1 at 540 K. Quantum chemical
                      and transition-state theory calculations of 16 unique
                      channels for CH2OO + isoprene somewhat underpredict the
                      observed T-dependence of the total reaction rate
                      coefficient, but are overall in good agreement with the
                      experimental measurements. This reaction is broadly similar
                      to those with smaller alkenes, proceeding by 1,3-dipolar
                      cycloaddition to one of the two conjugated double bonds of
                      isoprene.},
      cin          = {IEK-8},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {243 - Tropospheric trace substances and their
                      transformation processes (POF3-243)},
      pid          = {G:(DE-HGF)POF3-243},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000397860900046},
      pubmed       = {pmid:28288212},
      doi          = {10.1039/C6CP08602K},
      url          = {https://juser.fz-juelich.de/record/830354},
}