Electronic structure of some penta-atomic heterocyclic molecules studied by gas-phase HeI and HeII photoelectron spectroscopy
✍ Scribed by M.V. Andreocci; C. Cauletti; L. Sestili
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 506 KB
- Volume
- 40
- Category
- Article
- ISSN
- 1386-1425
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract The photoelectron spectra of substituted tetrazoles 1–3, 1,4‐dihydro‐5__H__‐tetrazol‐5‐ones 4–9, and 1,4‐dihydro‐5__H__‐tetrazole‐5‐thiones 10–15 have been recorded. Based on PM3 and some __ab initio__ calculations, the ionization potentials have been assigned to molecular orbitals. Gas
## Abstract The PE spectra of the 4,5‐dihydro‐3__H__‐pyrazoles 1, 2, of 2,5‐dihydro‐1,3,4‐oxadiazole 3, and 2,5‐dihydro‐1,3,4‐thiadiazole 4 have been recorded. Based on HAM/3, MNDO, AM1, and PM3 calculations, the ionization potentials have been assigned to molecular orbitals. The gas‐phase thermoly