Three new isomers of [C2H6O]+˙: The radical cations [CH3O(H)CH2]+˙, [CH3CHOH2]+˙ and a low-energy isomer of unassigned structure
✍ Scribed by Peter C. Burgers; John L. Holmes; Johan K. Terlouw; Ben van Baar
- Publisher
- John Wiley and Sons
- Year
- 1985
- Tongue
- English
- Weight
- 508 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1076-5174
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A new radical cation having the methyl carbene type structure [CH3CHCIH]" has been characterized in the gas phase. It is readily generated by the dissociative ionization [CH3CHClC02H]" + C02+[CH3CHC1H]". Its enthalpy of formation has been estimated to be 951 kJ mol-l, close to that of [CH3CH2CI]". T
Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2
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