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EnglishThe 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 CH2CNCHþ2 plus HCN via a cyclic transition state.
Chemical synthesis in acetonitrile containing discharges. Insights fromphotoionization experiments with synchrotron radiation / Daniela Ascenzi; Paolo Tosi; Pietro Franceschi; Daniele Catone; Stefano Turchini; Kevin C. Prince. - In: CHEMICAL PHYSICS. - ISSN 0301-0104. - STAMPA. - 2012, 398(2012), pp. 269-277.
| Titolo: | Chemical synthesis in acetonitrile containing discharges. Insights fromphotoionization experiments with synchrotron radiation | |
| Autori: | Daniela Ascenzi; Paolo Tosi; Pietro Franceschi; Daniele Catone; Stefano Turchini; Kevin C. Prince | |
| Autori Unitn: | ||
| Titolo del periodico: | CHEMICAL PHYSICS | |
| Anno di pubblicazione: | 2012 | |
| Codice identificativo Scopus: | 2-s2.0-84860888657 | |
| Codice identificativo ISI: | WOS:000304002100039 | |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1016/j.chemphys.2011.06.009 | |
| Handle: | http://hdl.handle.net/11572/91473 | |
| Citazione: | Chemical synthesis in acetonitrile containing discharges. Insights fromphotoionization experiments with synchrotron radiation / Daniela Ascenzi; Paolo Tosi; Pietro Franceschi; Daniele Catone; Stefano Turchini; Kevin C. Prince. - In: CHEMICAL PHYSICS. - ISSN 0301-0104. - STAMPA. - 2012, 398(2012), pp. 269-277. | |
| Appare nelle tipologie: | 03.1 Articolo su rivista (Journal article) |
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