✦ LIBER ✦
Electronic structure of thiometalates [MS4]n− (M=Mo, W, Re). XANES spectra and SCF-Xα-SW calculations
✍ Scribed by A. Müller; V. Wittneben; E. Diemann; J. Hormes; U. Kuetgens
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 400 KB
- Volume
- 225
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Sulfur K-edge XANES spectra of PPh: salts of the title species are reported. Assignments for the characteristic positions in the spectra are given and discussed. The energies of the pre-edge peaks and the main absorption edges are used to determine the 'crystal-field' splitting energies A, i.e. the energy difference between the 2e and 4t, levels ( 1.4 eV for [ ReS, ] -, 1.1 eV for [ WSJ 2and [MO&] 2-) and the energies of some frontier orbitals (HOMO-LUMO region). These data are compared with results from Xar calculations, electronic absorption and ESCA spectra.