Theoretical interpretation of 1s hole satellite peaks of formaldehyde
โ Scribed by I.H. Hillier; J. Kendrick
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 119 KB
- Volume
- 6
- Category
- Article
- ISSN
- 0368-2048
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The C 1s PES of hloz(OzCH)~ and hfo2(02CCH3)4, reported here, show an mtense satelbte peak close to the mam C 1s bne II-us IS assigned, by means of ab mit~o calculations, to a bI (6) + bt (CZpn) transition of the core hole Ion The la& of an mtense satelhte III the 0 1s spectrum IS dncussed.
PM3 molecular orbital calculations were carried out to estimate CH bond dissociation energies of 13 polycyclic aromatic hydrocarbon (PAH) molecular cations. The dissociation energy of a CH bond turned out to be almost independent of the size of the molecular cation and the environment in the cation.