Abstract

European Journal of Mass Spectrometry
Volume 14 Issue 5, Pages 299–309 (2008)
doi: 10.1255/ejms.936

Internal energy effects on the ion/molecule reactions of ionized methyl isocyanide

Robert Flammang,^a,* Julien De Winter,^a Pascal Gerbaux,^a Vinh Son Nguyen,^b and Minh Tho Nguyen^a
aLaboratory of Organic Chemistry —Center of Mass Spectrometry—University of Mons-Hainaut, Avenue Maistriau 19, B-7000 Mons, Belgium. E-mail robert.flammang@umh.ac.be
^aDepartment of Chemistry and Mathematical Modeling and Computational Science Center (LMCC), University of Leuven, B-3001 Leuven, Belgium

Electron ionization of methyl isocyanide in various chemical ionization conditions is reported and, depending on the energy conditions used, different ion/molecule reactions are observed. It is proposed, on the basis of combined quantum chemical (DFT) calculations and tandem mass spectrometric experiments, that a common intermediate could be a cumulenic ionized dimer dissociating in the ion source following two energy depending competitive channels, a loss of a hydrogen atom and a loss of a methyl group. Proposed structures for new cumulenic ions are supported by collision experiments in the high (collisional activation) or/and low (collision-induced dissociations) translational energy regime.

Keywords: methyl isocyanide, chemical ionization, Ion/molecule reactions; cumulenic ions

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