Ab mitio molecular-orbital calculations (SD CI/6-31G\*\*) confrrm that the most stable [CrH,O]+ tsomer is the distonic ton [CH2CH20H2]+. Mass spectrometrtc measurements give A HtlqX = 732k 5 kJ mol-'. Thts ion interconverts with a yet-un-Identified isomer, [CH,=CH.. H.. OH2 ]+. a hydrogen-bridged wa
Structures of decomposing and non-decomposing gas-phase [C4H6O]+· radical cations, and their [C2H2O]+· and [C3H6]+· product ions
✍ Scribed by Chhabil Dass; Michael L. Gross
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 839 KB
- Volume
- 25
- Category
- Article
- ISSN
- 1076-5174
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✦ Synopsis
The structures of gas-phase [C4H601+' radical cations and their daughter ions of composition [C2H20]+' and [C,H,]+' were investigated by using collisionally activated dissociation, metastable ion measurement, kinetic energy release and collisional ionization tandem mass spectrometric techniques. Electron ionization (70 eV) of ethoxyacetylene, methyl vinyl ketone, crotonaldehyde and 1-methoxyallene yields stable [C,H,OI+' ions, whereas the cyclic C,H,O compounds undergo ring opening to stable distonic ions. The structures of [C2H20]+' ions produced by 7O-eV ionization of several C,H,O compounds are identical with that of the ketene radical cation. The [C3H6]+' ions generated from crotonaldehyde, methacrylaldehyde, and cyclopropanecarboxaldehyde have structures similar to that of the propene radical cations, whereas those ions generated from the remainder of the [C,H,O] +' ions studied here produced a mixed population of cyclopropane and propene radical cations.
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