Hybrid ligand-field theory/quantum chemical calculation of the fine structure and ZFS in lanthanide(III) complexes
- Borel, Alain Institut de Chimie Moléculaire et Biologique, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
- Helm, Lothar Institut de Chimie Moléculaire et Biologique, Ecole Polytechnique Fédérale de Lausanne, Lausanne, Switzerland
- Daul, Claude A. Inorganic Chemistry Department, University of Fribourg, Switzerland
-
13.12.2003
Published in:
- Chemical Physics Letters. - 2004, vol. 383 (5-6), p. 584-591
English
Ligand field effects in lanthanide ions compounds have consequences for optical and magnetic spectroscopy. In the analysis of electron paramagnetic resonance spectra of Gd³⁺ complexes, a major role is played by the zero field splitting (ZFS), which is a high order consequence of the ligand field and the spin–orbit coupling. We present a general parameterized method and a computer program for... Show more…
- Faculty
- Faculté des sciences
- Department
- Chimie
- Language
-
- English
- Classification
- Chemistry
- License
- License undefined
- Identifiers
-
- RERO DOC 4786
- DOI 10.1016/j.cplett.2003.11.082
- Persistent URL
- https://folia.unifr.ch/unifr/documents/299667