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• W1973310366 abstract "The proton affinity (PA) of carbon suboxide OCCCO has been determined by Fourier transform ion cyclotron resonance as 791 kJ mol−1. Ab initio calculations at the MP4(SDTQ)/6–31G∗∗//6–31G∗∗ + ZPE(6–31G∗∗) level of theory give a proton affinity for C3O2 of 789 kJ mol−1. The gas-phase reactivity of ions a [OCCHCO]+ and ions b [OCCCOH]+, generated from various precursors has been studied by mass spectrometry techniques (metastable ion kinetic energy (MIKE), collision induced decomposition (CID) and neutralization — reionization (NR) mass spectra). From the experimental and theoretical results it follows that the gas-phase protonation of carbon suboxide yields ion a. At high internal energies these ions show competing losses of H′ and CO. The radical [OCCHCO]·, the neutral counterpart of protonated carbon suboxide, has a lifetime of at least 1 μs." @default.
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• W1973310366 date "1995-02-01" @default.
• W1973310366 modified "2023-10-18" @default.
• W1973310366 title "Experimental and theoretical study of carbon suboxide C3O2, protonated carbon suboxide C3HO2+ and C3HO2· radical in the gas phase" @default.
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• W1973310366 doi "https://doi.org/10.1016/0168-1176(94)04088-o" @default.
• W1973310366 hasPublicationYear "1995" @default.
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