✦ LIBER ✦
Ionization energy calculations of MCl4 (MTi, Zr and Hf)-type molecules by the MS Xα method
✍ Scribed by V. Subramanian; M. Vijayakumar; T. Ramasami
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 349 KB
- Volume
- 182
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
The ionization energies of core and valence electrons of MCI, (where M = Ti, Zr and Hf )-type complexes have now been calculated using the MS Xol method and comparison made with previously calculated values and experimental values reported earlier. This method helps to predict the ionization energies of the MCI, molecules. The periodic trend in the relativistic effect on MCI, has been discussed. The electron affinities computed by this method suggest that the negative-ion states of TiCl, seem to be more stable than the other two tetrachlorides.