First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3).
{We present a first principles static and dynamical study of the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3), with a view to arriving at an understanding of how the variation in the electronic properties of the metal sites and ligands can influence the dynamics of the resulting complexes. A broad range of behavior was obsd., encompassing stable classical min. (M = Os
Références
- Titre
- First principles static and dynamic calculations for the transition metal hydride series MH4L3 (M = Fe, Ru and Os; L = NH3, PH3 and PF3).
- Type de publication
- Article de revue
- Année de publication
- 2015
- Auteurs
- Sieffert, Nicolas, Kendrick Thomas, Tiana Davide, and Morrison Carole A.
- Revue
- Dalt. Trans.
- Volume
- 44
- Pagination
- 4259–4270
- ISSN
- 1477-9226
Soumis le 12 avril 2018