72192-21-3Relevant academic research and scientific papers
CH3OCH.+, a New Stable C2H4O.+ Isomer, and a Reassessment of the Oxirane.+ Potential Surface
Buschek, J. M.,Holmes, J. L.,Terlouw, J. K.
, p. 7321 - 7325 (2007/10/02)
The .+ isomer of structure .+ has been shown to be unambiguously generated by CO2 loss from ionized methyl glyoxylate. ΔHf0 for this new ion was measured to be 224 +/- 1 kcal mol-1.The .+ ion produced by the loss of CH2O from ionized 1,3-dioxolane and by the loss of HCOOH from ionized methoxymethyl formate was proposed to have the structure .+, ΔHf0 = 206 +/- 2 kcal mol-1.Ionized oxirane in either its 2B1 or 2A1 state was proposed to be generated by loss of CO2 from ionized ethylene carbonate at a threshold energy corresponding to a ΔHf0 = 235 +/- 1 kcal mol-1.The structure assignments were aided by observations of collisional activation and metastable ion mass spectra.The common fragmentations of .+ and .+ ions, loss of CH3. and H., take place at similar high internal energies, leading to large kinetic energy releases in the metastable ion decompositions.Interpretations of the observations were in keeping with recent high-level ab initio molecular orbital theory calculations, but detailed mechanisms could not be established.
