%0 Journal Article %T Isomerization of cyanopropyne in solid argon %+ Polish Academy of Sciences (PAN) %+ Institut des Sciences Moléculaires d'Orsay (ISMO) %+ Physique des interactions ioniques et moléculaires (PIIM) %+ Institut des Sciences Chimiques de Rennes (ISCR) %A Custer, Thomas %A Szczepaniak, Urszula %A Gronowski, Marcin %A Piétri, Nathalie %A Couturier-Tamburelli, Isabelle %A Guillemin, Jean-Claude %A Turowski, Michal %A Kolos, Robert %Z Polish National Science Centre [2011/03/B/ST4/02763, 2015/17/B/ST4/03875] %Z French-Polish Polonium project (2015-2016) [33570RK] %Z European Social Fund %Z Polish Government %Z COST STSM action [39577] %Z Program PCMI (INSU-CNRS) %Z Centre National d'Etudes Spatiales (CNES) %Z Podlaskie Voivodeship %< avec comité de lecture %@ 1463-9076 %J Physical Chemistry Chemical Physics %I Royal Society of Chemistry %V 21 %N 25 %P 13668-13678 %8 2019-06-26 %D 2019 %R 10.1039/c8cp06739b %M 31190036 %Z Chemical SciencesJournal articles %X 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. %G English %2 https://univ-rennes.hal.science/hal-02278409/document %2 https://univ-rennes.hal.science/hal-02278409/file/Custer%20et%20al-2019-Isomerization%20of%20cyanopropyne%20in%20solid%20argon.pdf %L hal-02278409 %U https://univ-rennes.hal.science/hal-02278409 %~ UNIV-RENNES1 %~ CNRS %~ UNIV-AMU %~ UNIV-PSUD %~ INSA-RENNES %~ ENSC-RENNES %~ ISCR %~ SCR-COS %~ PIIM %~ JYB-LAB %~ STATS-UR1 %~ UR1-SPM %~ INC-CNRS %~ UR1-UFR-SPM %~ UR1-HAL %~ ISCR-CORINT %~ UR1-SDLM %~ UNIV-PARIS-SACLAY %~ UNIV-PSUD-SACLAY %~ TEST-UR-CSS %~ UNIV-RENNES %~ INSA-GROUPE %~ ISCR-CORINT1 %~ TEST-HALCNRS %~ UR1-MMS %~ ISCR-CORINT3 %~ GS-CHIMIE %~ GS-PHYSIQUE %~ INSTITUT-SCIENCES-LUMIERE %~ TEST2-HALCNRS