Chemical synthesis in acetonitrile containing discharges. Insights from photoionization experiments with synchrotron radiation
| Autor: | Pietro Franceschi, Daniele Catone, Daniela Ascenzi, Kevin C. Prince, Paolo Tosi, Stefano Turchini |
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| Rok vydání: | 2012 |
| Předmět: |
Atmospheric pressure chemical ionization
Reaction mechanism Ion-molecule reactions General Physics and Astronomy Ionic bonding Synchrotron radiation Atmospheric-pressure chemical ionization Photoionization Photochemistry Chemical synthesis Ion chemistry.chemical_compound Acetonitrile clusters chemistry Nitriles Physics::Atomic and Molecular Clusters Planetary ionosphere Physical chemistry Physical and Theoretical Chemistry Acetonitrile |
| Zdroj: | Chemical physics 398 (2012): 269–277. doi:10.1016/j.chemphys.2011.06.009 info:cnr-pdr/source/autori:Daniela Ascenzi, Paolo Tosi, Pietro Franceschi, Daniele Catone, Stefano Turchini, Kevin C. Prince,/titolo:Chemical synthesis in acetonitrile containing discharges. Insights from photoionization experiments with synchrotron radiation/doi:10.1016%2Fj.chemphys.2011.06.009/rivista:Chemical physics (Print)/anno:2012/pagina_da:269/pagina_a:277/intervallo_pagine:269–277/volume:398 |
| ISSN: | 0301-0104 |
| DOI: | 10.1016/j.chemphys.2011.06.009 |
| Popis: | The photoinduced ion chemistry of acetonitrile is investigated by using tuneable VUV synchrotron radiation in an octupolar ion guide with mass spectrometric detection. The appearance energies and yields of primary photoions and secondary ionic products deriving from self-reactions at thermal collision energies are measured. Comparison of the appearance energies of the different product ions provides insights into the reaction mechanisms. Experimental data are interpreted with the help of theoretical calculations (energies and structures at the G3 level of theory) for the various isomers of the most relevant ionic products. We find that the ion C2H2N+ is formed at the threshold with a cyclic structure, but only its linear isomer (lying 0.47 eV higher in energy) can react with acetonitrile to form CH 2 CN CH 2 + plus HCN via a cyclic transition state. |
| Databáze: | OpenAIRE |
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