Thermal Fragmentation of 3-Vinyloxetane: A Quantum Chemical Study
✍ Scribed by Calvo-Losada, S.; Enríquez, F.; Martín-Ortiz, J.; Quirante, J. J.
- Book ID
- 126061562
- Publisher
- American Chemical Society
- Year
- 2003
- Tongue
- English
- Weight
- 223 KB
- Volume
- 107
- Category
- Article
- ISSN
- 1089-5639
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## Abstract Dissociation energies (__E__~D~) of various heterocyclic fragments of repeating units of thermally stable heteropolymers have been calculated by the semiempirical PM‐3 method. Fragments with heterocycles containing carbonyl and/or amine groups and/or oxygen (or sulfur) atoms (benzazoles
Dissociation energies (ED) of different components of repeating units of heteropolymers (HPs) have been calculated by the semiempirical PM-3 method. Comparison of ED values of heterocycles (HCs) and of single bonds contained in phenyl-substituted benzoheterocycles have shown that for polybenzazoles
## Abstract Semiempirical PM‐3 calculations of the mechanisms of the decomposition of oxazole and maleimide have been carried out. It has been shown that thermal decomposition of the considered heterocycles proceeds via a consecutive breaking of two ring bonds, the breaking of the second bond being