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[C 3 H 3 O] + ions; reacting and non‐reacting configurations
Author(s) -
Holmes John L.,
Terlouw Johan K.,
Burgers Peter C.
Publication year - 1980
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210150308
Subject(s) - metastability , ion , protonation , physics , mass spectrum , analytical chemistry (journal) , crystallography , chemistry , spectral line , atomic physics , chromatography , astronomy , quantum mechanics
Three [C 3 H 3 O] + ion structures have been characterized. The most stable of these is \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm CH}_{\rm 2} = {\rm CH} - \mathop {\rm C}\limits^ + = {\rm O} $\end{document} its heat of formation Δ H f was measured as 749±5 kJ mol −1 . In the μs time frame this ion fragments exclusively by loss of CO, a process which also dominates its collisional activation mass spectrum. The other stable [C 3 H 3 O] + structures, \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm CH}\equiv \mathop {\rm C}\limits^ + - {\rm CHOH} $\end{document} and \documentclass{article}\pagestyle{empty}\begin{document}$ {\rm CH}_{\rm 2} = {\rm C} = \mathop {\rm C}\limits^{\rm + } - {\rm OH}, $\end{document} , were generated from some acetylenic and allenic precursor ions; their heats of formation were estimated to be 830 and 880 kJ mol −1 respectively. The former ion was also produced by the gas phase protonation of propynal. These ions show loss of C 2 H 2 and CO in both their metastable ion and collisional activation mass spectra. The broad Gaussian‐type metastable peak for the loss of CO was shown to consist of two components corresponding to gragmentations having different activation energies.