Mass spectrometry of heterocyclic compounds—II: Electron-impact induced fragmentation of 3,5-diphenyl-1,2,4-oxadiazole
✍ Scribed by A. Selva; L. F. Zerilli; B. Cavalleri; G. G. Gallo
- Publisher
- John Wiley and Sons
- Year
- 1972
- Tongue
- English
- Weight
- 243 KB
- Volume
- 6
- Category
- Article
- ISSN
- 1076-5174
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## Abstract Molecular orbital calculations using the semi‐empirical CNDO/2 method were carried out on the molecular ion of 3‐__p__‐NH~2~‐phenyl‐5‐phenyl‐1,2,4‐oxadiazole, whose structure had been determined by X‐ray diffraction. The calculated diatomic interaction energy values are consistent with
The fragmentation behaviour of 3,4-disubstituted 1,2,4-oxadiazole-5(4H)-thiones under electron impact (EI) can be explained by postulating a predominant rearrangement to the corresponding 3,4-disubstituted 1,2,4-thiadiazole-5(4H)-ones before further fragmentation. This postulate is confirmed by a co