From Planar to Cage in 15 Easy Steps: Resolving the CHF- ↑ C Transformation by Ion Mobility Mass Spectrometry.
A combination of mass spectrometry, collision-induced dissociation, ion mobility mass spectrometry (IM-MS), and density functional theory (DFT) has been used to study the evolution of anionic species generated by laser-desorption of the near-planar, fluorinated polycyclic aromatic hydrocarbon (PAH),...
| Publicado en: | Journal of the American Chemical Society Vol. 138; no. 35; pp. 11254 - 11264 |
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| Autores principales: | , , , , , |
| Formato: | Artículo |
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American Chemical Society
9/7/2016
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=118366643&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 118366643 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 9/7/2016 vid: 138 iid: 35 pid: 997 pub: American Chemical Society artinfo: ui: 118366643 10.1021/jacs.6b06205 ppf: 11254 ppct: 10 formats: tig: atl: From Planar to Cage in 15 Easy Steps: Resolving the CHF- ↑ C Transformation by Ion Mobility Mass Spectrometry. aug: au: Greisch, Jean-François Amsharov, Konstantin Yu. Weippert, Jürgen Weis, Patrick Böttcher, Artur Kappes, Manfred M. affil: Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany Institut für Organische Chemie, University Erlangen-Nürnberg, Henkestrasse 42, 91054 Erlangen, Germany Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany su: Polycyclic aromatic hydrocarbons synthesis Ion mobility spectroscopy Hydrogenation Regioselectivity (Chemistry) Density functional theory sug: subj: Polycyclic aromatic hydrocarbons synthesis Ion mobility spectroscopy Hydrogenation Regioselectivity (Chemistry) Density functional theory ab: A combination of mass spectrometry, collision-induced dissociation, ion mobility mass spectrometry (IM-MS), and density functional theory (DFT) has been used to study the evolution of anionic species generated by laser-desorption of the near-planar, fluorinated polycyclic aromatic hydrocarbon (PAH), CHF (s). The dominant decay process for isolated, thermally activated CHF- species comprises a sequence of multiple regioselective cyclodehydrofluorination and cyclodehydrogenation reactions (eliminating HF and H, respectively, while forming additional pentagons and/or hexagons). The DFT calculations allow us to set narrow bounds on the structures of the resulting fragment ions by fitting structural models to experimentally determined collision cross sections. These show that the transformation of the precursor anion proceeds via a series of intermediate structures characterized by increasing curvature, ultimately leading to the closed-shell fullerene cage C as preprogrammed by the precursor structure. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2016 holdings: @attributes: islocal: N |
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