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Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product

Journal Article


Abstract


  • The gas-phase CN + propene reaction is investigated using synchrotron photoionization mass spectrometry (SPIMS) over the 9.8 - 11.5 eV photon energy range. Experiments are conducted at room temperature in 4 Torr of He buffer gas. The CN + propene addition reaction produces two distinct product mass channels, C3H3N and C4H5N, corresponding to CH3 and H elimination, respectively. The CH3 and H elimination channels are measured to have branching fractions of 0.59 ± 0.15 and 0.41 ± 0.10, respectively. The absolute photoionization cross sections between 9.8 and 11.5 eV are measured for the three considered H-elimination coproducts: 1-, 2-, and 3-cyanopropene. Based on fits using the experimentally measured photoionization spectra for the C4H 5N mass channel and contrary to the previous study (Int. J. Mass. Spectrom.2009, 280, 113 - 118), where it was concluded that 3-cyanopropene was not a significant product, the new data suggests 3-cyanopropene is produced in significant quantity along with 1-cyanopropene, with isomer branching fractions from this mass channel of 0.50 ± 0.12 and 0.50 ± 0.24, respectively. However, similarities between the 1-, 2-, and 3-cyanopropene photoionization spectra make an unequivocal assignment difficult based solely on photoionization spectra. The CN + CH2CHCD3 reaction is studied and shows, in addition to the H-elimination product signal, a D-elimination product channel (m/z 69, consistent with CH2CHCD 2CN), providing further evidence for the formation of the 3-cyanopropene reaction product. © 2011 American Chemical Society.

Authors


  •   Trevitt, Adam J.
  •   Soorkia, Satchin (external author)
  •   Savee, J D. (external author)
  •   Selby, Talitha M. (external author)
  •   Osborn, David L. (external author)
  •   Taatjes, Craig A. (external author)
  •   Leone, Stephen R. (external author)

Publication Date


  • 2011

Citation


  • Trevitt, A. J., Soorkia, S., Savee, J. D., Selby, T. S., Osborn, D. L., Taatjes, C. A. & Leone, S. R. (2011). Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 115 (46), 13467-13473.

Scopus Eid


  • 2-s2.0-81555200664

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/3772

Has Global Citation Frequency


Number Of Pages


  • 6

Start Page


  • 13467

End Page


  • 13473

Volume


  • 115

Issue


  • 46

Abstract


  • The gas-phase CN + propene reaction is investigated using synchrotron photoionization mass spectrometry (SPIMS) over the 9.8 - 11.5 eV photon energy range. Experiments are conducted at room temperature in 4 Torr of He buffer gas. The CN + propene addition reaction produces two distinct product mass channels, C3H3N and C4H5N, corresponding to CH3 and H elimination, respectively. The CH3 and H elimination channels are measured to have branching fractions of 0.59 ± 0.15 and 0.41 ± 0.10, respectively. The absolute photoionization cross sections between 9.8 and 11.5 eV are measured for the three considered H-elimination coproducts: 1-, 2-, and 3-cyanopropene. Based on fits using the experimentally measured photoionization spectra for the C4H 5N mass channel and contrary to the previous study (Int. J. Mass. Spectrom.2009, 280, 113 - 118), where it was concluded that 3-cyanopropene was not a significant product, the new data suggests 3-cyanopropene is produced in significant quantity along with 1-cyanopropene, with isomer branching fractions from this mass channel of 0.50 ± 0.12 and 0.50 ± 0.24, respectively. However, similarities between the 1-, 2-, and 3-cyanopropene photoionization spectra make an unequivocal assignment difficult based solely on photoionization spectra. The CN + CH2CHCD3 reaction is studied and shows, in addition to the H-elimination product signal, a D-elimination product channel (m/z 69, consistent with CH2CHCD 2CN), providing further evidence for the formation of the 3-cyanopropene reaction product. © 2011 American Chemical Society.

Authors


  •   Trevitt, Adam J.
  •   Soorkia, Satchin (external author)
  •   Savee, J D. (external author)
  •   Selby, Talitha M. (external author)
  •   Osborn, David L. (external author)
  •   Taatjes, Craig A. (external author)
  •   Leone, Stephen R. (external author)

Publication Date


  • 2011

Citation


  • Trevitt, A. J., Soorkia, S., Savee, J. D., Selby, T. S., Osborn, D. L., Taatjes, C. A. & Leone, S. R. (2011). Branching fractions of the CN + C3H6 reaction using synchrotron photoionization mass spectrometry: evidence for the 3-cyanopropene product. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 115 (46), 13467-13473.

Scopus Eid


  • 2-s2.0-81555200664

Ro Metadata Url


  • http://ro.uow.edu.au/scipapers/3772

Has Global Citation Frequency


Number Of Pages


  • 6

Start Page


  • 13467

End Page


  • 13473

Volume


  • 115

Issue


  • 46