Studies on the syntheses of azole derivatives—V: The mass spectra of 1,2,4-triazoles and oxadiazoles (studies on the syntheses of heterocyclic compounds—CCCLXXIV)
✍ Scribed by Tetsuji Kametani; Shoji Hirata; Shiroshi Shibuya; Masahisa Shio
- Publisher
- John Wiley and Sons
- Year
- 1971
- Tongue
- English
- Weight
- 271 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1076-5174
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
The electron‐impact induced fragmentation of twenty 3‐alkyl‐1‐phenyl‐Δ^2^‐1,2,4‐triazolin‐5‐ones, three 1‐phenyl‐1,2,4‐triazolin‐3,5‐diones and ten 2‐alkyl‐4‐phenyloxadiazolin‐5‐ones has been studied by conventional mass spectrometry. The major cleavages take place in the 1‐phenyl‐Δ^2^‐1,2,4‐triazolin‐5‐one nucleus, producing three major fragment ions. 4‐Phenyloxadiazolin‐5‐ones exhibit a similar fragmentation pattern to 1‐phenyl‐Δ^2^‐1,2,4‐triazolin‐5‐ones. Furthermore, several additional fragmentation processes are observed in the case of specific 1,2,4‐triasolines.
📜 SIMILAR VOLUMES
## Abstract The derivatives of 2,5‐dipicryl‐1,3,4‐oxadiazole (DPO) were optimized to obtain their molecular geometries and electronic structures at the DFT‐B3LYP/6‐31G^\*^ level. Their IR spectra were obtained and assigned by vibrational analysis. Compared with the experimental results, all the cal