A SCF Xα SW study of the shake-up in TiCl4 |
| |
| Authors: | John S Tse |
| |
| Institution: | Department of Chemistry, University of Western Ontario, London, Canada N6A SB7 |
| |
| Abstract: | The Ti 2p electron shake-up spectrum in TiCl4 is calculated using SCF Xα SW method. Results showed that the low-energy satellite can be ascribed to ligand → metal charge-transfer transitions. However, the nature of the intense peak at 9.8 eV cannot be explained within the one-electron model. An anomaly is noted in the eiperimental spectra of the titanium halides. |
| |
| Keywords: | Present address: Chemistry division National Research Council of Canada Ottawa Canada K1A OR9 |
| 本文献已被 ScienceDirect 等数据库收录！ |
