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Issue 26, 2009
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Reactions in gas phase and condensed phase C6F5X (X = NCO, CH2CN) triggered by low energy electrons

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Abstract

Electron attachment to gas phase perfluorophenylisocyanate (C6F5NCO) and perfluorophenyloacetonitrile (C6F5CH2CN) generates metastable parent anions within a very narrow resonance close to zero energy. At higher energies (2–7 eV), dissociative electron attachment (DEA) resonances are present, associated with the rupture of the C6F5–X bond (X = NCO, CH2CN) with the excess electron finally localised on either of the two fragments. The most intense fragment ion from C6F5CH2CN (M) is (M − HF), which arises from the loss of a neutral HF from the transient anion and requires the concerted cleavage of two bonds and formation of a new molecule (HF). Most remarkably, this rather complex DEA reaction is by about two orders of magnitude more intense than the single bond cleavages (C6F5–X) leading to the complementary DEA reactions C6F5 + X and C6F5 + X. From both condensed molecules we observe desorption of F and CN and, additionally, O from C6F5NCO. The desorption yields also show a resonant behaviour with the peak maxima in the range 8–12 eV, i.e., near or above the ionization energy, indicating that in electron stimulated desorption (ESD) highly excited resonances are involved. Ab initio calculations are performed in order to get information on the shape and energy of the molecular orbitals involved in low energy (<2 eV) electron attachment.

Graphical abstract: Reactions in gas phase and condensed phase C6F5X (X = NCO, CH2CN) triggered by low energy electrons

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Publication details

The article was received on 19 Nov 2008, accepted on 20 Mar 2009 and first published on 23 Apr 2009


Article type: Paper
DOI: 10.1039/B820670H
Phys. Chem. Chem. Phys., 2009,11, 5323-5330

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    Reactions in gas phase and condensed phase C6F5X (X = NCO, CH2CN) triggered by low energy electrons

    I. Dąbkowska, H. D. Flosadóttir, M. Orzol, S. Ptasinska, I. Bald, O. Ingólfsson and E. Illenberger, Phys. Chem. Chem. Phys., 2009, 11, 5323
    DOI: 10.1039/B820670H

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