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Issue 45, 2015
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Infrared study of matrix-isolated ethyl cyanide: simulation of the photochemistry in the atmosphere of Titan

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Abstract

Low-temperature Ar matrix isolation has been carried out to investigate the infrared spectrum of ethyl cyanide (CH3CH2CN), a molecule present in the atmosphere of Titan. The λ > 120 nm and λ > 230 nm photolysis reactions of ethyl cyanide in an Ar matrix were also performed in order to compare the behaviour of this compound when it is submitted to high and low energetic radiations. These different wavelengths have been used with the aim to reproduce the radiation reaching the various parts of the atmosphere. Several photoproducts have been identified during photolysis such as vinyl cyanide (CH2[double bond, length as m-dash]CHCN), cyanoacetylene (HC3N), and ethylene/hydrogen cyanide (C2H4/HCN), ethylene/hydrogen isocyanide (C2H4/HNC), acetylene/hydrogen cyanide (C2H2/HCN), acetylene/hydrogen isocyanide (C2H2/HNC), and acetylene:methylenimine (C2H2:HNCH2) complexes. Ethyl isocyanide (CH3CH2NC) and a ketenimine form (CH3CH[double bond, length as m-dash]C[double bond, length as m-dash]NH) have been identified as well. Photoproduct identification and spectral assignments were done using previous studies and density functional theory (DFT) calculations with the B3LYP/cc-pVTZ basis set.

Graphical abstract: Infrared study of matrix-isolated ethyl cyanide: simulation of the photochemistry in the atmosphere of Titan

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Publication details

The article was received on 22 Jun 2015, accepted on 30 Sep 2015 and first published on 01 Oct 2015


Article type: Paper
DOI: 10.1039/C5CP03616J
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Phys. Chem. Chem. Phys., 2015,17, 30352-30363

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    Infrared study of matrix-isolated ethyl cyanide: simulation of the photochemistry in the atmosphere of Titan

    A. Toumi, N. Piétri and I. Couturier-Tamburelli, Phys. Chem. Chem. Phys., 2015, 17, 30352
    DOI: 10.1039/C5CP03616J

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