The relativistic core in calculations for coordination compounds by the Xα-scattered wave method
✍ Scribed by S. G. Gagarin; A. P. Kovtun
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 1981
- Tongue
- English
- Weight
- 527 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The Ols core spectrum of ozone has been obtained with AI Kc~ X-rays. The central oxygen I s binding energy is 546.2 eV while the terminal oxygen 1 s binding energy is 541.5 eV; this places the central oxygen 1 s at 1.0 eV higher binding energy than that of OF2-X~SW calculations predict the correct b
The SCF Xa SW method can be used to obtain uniquely all the multiplets arising from the did transitions in the square planar metal complex PtCI\*-4 . The agreement with the expcrimcntzl absorption spectrum and the singlet transition assignments in the region = 3.0-4.5 eV is exccllcnt.