On the structure of the odd electron [C2H6O]+˙ ions in the mass spectrum of [1,3-propanediol]+˙
✍ Scribed by Johan K. Terlouw; Wik Heerma; Geo Dijkstra
- Publisher
- John Wiley and Sons
- Year
- 1981
- Tongue
- English
- Weight
- 234 KB
- Volume
- 16
- Category
- Article
- ISSN
- 1076-5174
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📜 SIMILAR VOLUMES
## MNDO calculations of [C3H ,0]+' predict the parallel existence of both structures of radical cations of acetone (1) and propen-2-01 (2) in electron ionization spectra. The calculated heats of formation of 1+' (A@"Do = 783.2 kJ mol-' and of 2" (AflNDo = 649.8 kJ mol-') are in very good agreement
Appearance energy and kinetic energy release measurements together with isotopic labelling have shown that the metastable molecular ion of 1-phenylpmpenol isomerizes into those of cinnamic alcohol and 3-phenylpropanal prior to loss of ketene. =C! labelling and thennodynamic considerations prove that