Reactivity and properties of dications generated by photoionization of 2,5-norbornadiene (Articolo in rivista)

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  • Reactivity and properties of dications generated by photoionization of 2,5-norbornadiene (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/j.ijms.2012.12.002 (literal)
Alternative label
  • Christopher J. Shaffer, Detlef Schröder, Jana Roithová, Emilie-Laure Zins, Christian Alcaraz, Jan ?abka, Miroslav Polá?ek, Daniela Ascenzi (2013)
    Reactivity and properties of dications generated by photoionization of 2,5-norbornadiene
    in International journal of mass spectrometry (Print); ELSEVIER, NEW YORK (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Christopher J. Shaffer, Detlef Schröder, Jana Roithová, Emilie-Laure Zins, Christian Alcaraz, Jan ?abka, Miroslav Polá?ek, Daniela Ascenzi (literal)
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  • 17 (literal)
Pagina fine
  • 26 (literal)
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  • 336 (literal)
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  • Scopu (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo nám. 2, 166 10 Prague, Czech Republic Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 2030/8, 12843 Prague 2, Czech Republic Laboratoire de Dynamique, Interactions et Réactivité, UMR 7075 CNRS/UPMC, Université Pierre et Marie Curie, 4 Place Jussieu 75252 Paris, France Laboratoire de Chimie Physique, Bât. 350, UMR 8000, CNRS-Univ. Paris-Sud 11, Centre Universitaire Paris-Sud, 91405 Orsay Cedex, France Synchrotron SOLEIL, L'Orme des Merisiers, Saint-Aubin - BP 48, 91192 Gif-sur-Yvette, France J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 18223 Prague 8, Czech Republic Department of Physics, University of Trento, Via Sommarive 14, 38123 Povo, Italy ISM-CNR, via del Fosso del Cavaliere, 100, 00133 Roma, Italy (literal)
Titolo
  • Reactivity and properties of dications generated by photoionization of 2,5-norbornadiene (literal)
Abstract
  • The production of C7Hn2+ (with n = 6, 8) dications from 2,5-norbornadiene (NBD) and their reactivity toward Xe and N2 are studied using multipole-based tandem mass spectrometry techniques coupled with ionization either by collisions with energetic electrons or with tunable VUV photons coming from the SOLEIL synchrotron facility. From the photoionization studies, an apparent double photoionization energy of 2AE(NBD) = (22.80 ± 0.08) eV is derived, while the appearance energy of the C7H62+ fragment is only slightly higher at (23.08 ± 0.10) eV and the hydrogen-depleted dication dominates the mass spectrum at photon energies above about 24 eV. Theoretical calculations predict the adiabatic 2IE(NBD) as about 1.26 eV lower than the experimental value, which is attributed to the occurrence of significant Franck-Condon effects. Concerning the formation of C7H62+, theory and experiment indicate that the dehydrogenation product corresponds to the cycloheptatrienylidene dication, as is formed upon dissociative double ionization of previously studied C7H8 isomers (namely toluene and cycloheptatriene, CHT). The C7H62+ formation results from the overall exothermic rearrangement of NBD2+ into CHT2+ and thus only little extra energy is required to afford dehydrogenation. Further, the NBD2+/CHT2+ isomerization affects the reactivity of C7H82+ and C7H62+ dications toward Xe and N2, leading to the formation of the dications C7H6Xe2+ and C7H6N22+, respectively. The high efficiency of formation of the diazo dication C7H6N22+ suggests that reactions of organic dications with N2 may play an important role in the chemistry of nitrogen and hydrocarbon-rich atmospheres of planets and moons. (literal)
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