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Issue 25, 2019
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Isomerization of cyanopropyne in solid argon

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Cyanopropyne, CH3–C[triple bond, length as m-dash]C–CN, is a simple molecule whose photochemistry is still unexplored. Here we investigate the UV photolysis of this astrophysically significant nitrile trapped in solid argon. The FTIR study was assisted with 15N-isotopic substitution data and with DFT-level computations including the analyses of ground- and excited-state potential energy surfaces. Cyanopropyne was found to decay mainly via a two-step isomerization process. Infrared absorption spectra evolved to show signals from allenyl cyanide, CH2[double bond, length as m-dash]C[double bond, length as m-dash]CH–CN, which then further convert into propargyl cyanide, H–C[triple bond, length as m-dash]C–CH2–CN. Some evidence for the presence of allenyl isocyanide, propargyl isocyanide, 3-cyanocyclopropene, and 1,2,3-butatrien-1-imine under particular experimental conditions was also observed. Although cyano/isocyano interconversion has been observed during photolysis of other closely related species in solid argon matrices, including H–C[triple bond, length as m-dash]C–CN, no evidence could be found for production of 1-isocyano-1-propyne, CH3–C[triple bond, length as m-dash]C–NC for these experiments.

Graphical abstract: Isomerization of cyanopropyne in solid argon

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The article was received on 30 Oct 2018, accepted on 04 Jun 2019 and first published on 13 Jun 2019

Article type: Paper
DOI: 10.1039/C8CP06739B
Phys. Chem. Chem. Phys., 2019,21, 13668-13678

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    Isomerization of cyanopropyne in solid argon

    T. Custer, U. Szczepaniak, M. Gronowski, N. Piétri, I. Couturier-Tamburelli, J. Guillemin, M. Turowski and R. Kołos, Phys. Chem. Chem. Phys., 2019, 21, 13668
    DOI: 10.1039/C8CP06739B

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