Electronic properties of sulphur hexafluoride. Optical absorption and x-ray emission from SCF MO LCAO computations
✍ Scribed by F.A. Gianturco
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 587 KB
- Volume
- 17
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Rcccived 31 Jzly 1972
The enhanced lines and frequent lack of evidence for Rydtxxg structures, already discussed in a past paper on !hc X-ray absorption spectra of this molccuk, are here again interpreted for optical absorption as originating from "shake-up" and skke-off' processes among computed SCF 510 LCAO levels. Similar mcchxkms, 9s well as oneelectron jumps are invoked for S and F tluorcsccncc spectra (Iin and I$) where they also a!!ow for 3 qualitative one-to-one correspondence between tile excited multiple ions involved and the computed "many-hole" confi_eurations. The electron-scavenger properties of SFc are suggested to be mainly responsible for the moderate success of the rather crude model eipto&d here for coGputnti;k.