𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A SCF Xα MO study of the optical and Ti2p core photoemission spectra of TiCl4

✍ Scribed by J.A. Tossell

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
332 KB
Volume
65
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

SCF Xa MO calculations on the ground state and optical evzitation transition shtes of TICL xLur&ely predict the energies of its UV absorption peaks_ Calcuktions on the Tilp core ion state and associated transition states indicate that the recent& observed low energy (4-O eV> Ti 2p sateihte arises from &and to metal charge transfer excitations xrhile the satellite at hi& eners?. (9.4 eV). similar to those previous!~ obserred in Ti(IV) compounds. can be attributed to tmnsmons from the h&hest fdled orbit& to empty orbit& with ClZp-Ti-k 4p antibonding chxzcter.

📜 SIMILAR VOLUMES

Electronic structure of thiometalates [M
Electronic structure of thiometalates [MS4]n− (M=Mo, W, Re). XANES spectra and SCF-Xα-SW calculations
✍ A. Müller; V. Wittneben; E. Diemann; J. Hormes; U. Kuetgens 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 400 KB

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