Unimolecular chemistry of metastable dimethyl isophthalate radical cations |
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| Authors: | Robert Flammang, No mie Dechamps, Pascal Gerbaux, Pham-Cam Nam,Minh Tho Nguyen |
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| Affiliation: | aLaboratory of Organic Chemistry-Center of Mass Spectrometry, University of Mons-Hainaut, Avenue Maistriau 19, B-7000 Mons, Belgium;bDepartment of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Leuven, Belgium;cDepartment of Chemical Engineering, University of Danang, 54 Nguyen Luong Bang Street, Danang, Viet Nam |
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| Abstract: | The MS/MS spectrum of the metastable molecular ions of dimethyl isophthalate 1 differs from that of the isomeric dimethyl terephthalate 2 by the observation of, inter alia, a quite intense loss of C,H2,O ascribed to formaldehyde. Results obtained using a combination of mass spectrometry techniques suggest that this process could consist of an isomerization reaction of the molecular ion into an ion–neutral complex (INC) linking a benzoyl radical and neutral formaldehyde to a proton [Ar C O HOCH2] +. Within the complex, a proton transfer catalyzed by formaldehyde occurs resulting in the production of an ionized cyclohexadienylidene methanone (ketene) structure. |
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| Keywords: | Dimethyl isophthalate Mass spectrometry Metastable ion Proton transport catalysis |
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