Isomerization of cyanopropyne in solid argon - Université de Rennes Access content directly
Journal Articles Physical Chemistry Chemical Physics Year : 2019

Isomerization of cyanopropyne in solid argon

Abstract

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.
Fichier principal
Vignette du fichier
Custer et al-2019-Isomerization of cyanopropyne in solid argon.pdf (3.96 Mo) Télécharger le fichier
Origin Files produced by the author(s)
Loading...

Dates and versions

hal-02278409 , version 1 (17-02-2020)

Identifiers

Cite

Thomas Custer, Urszula Szczepaniak, Marcin Gronowski, Nathalie Piétri, Isabelle Couturier-Tamburelli, et al.. Isomerization of cyanopropyne in solid argon. Physical Chemistry Chemical Physics, 2019, 21 (25), pp.13668-13678. ⟨10.1039/c8cp06739b⟩. ⟨hal-02278409⟩
53 View
153 Download

Altmetric

Share

Gmail Mastodon Facebook X LinkedIn More