Citation
F. Ragot et al., Spectroscopy of a Eu(III)-imidazolate complex, SYNTH METAL, 120(1-3), 2001, pp. 773-774
Citations number
4
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
SYNTHETIC METALS
ISSN journal
03796779
→ ACNP
Volume
120
Issue
1-3
Year of publication
2001
Pages
773 - 774
Database
ISI
SICI code
0379-6779(20010315)120:1-3<773:SOAEC>2.0.ZU;2-N
Abstract
We have performed semi-empirical calculations on a Eu(III)-imidazole comple
x. We use a Scaled Quantum Mechanical Force field approach from the MOPAC s
oftware. We obtain molecular force constants used in the normal mode calcul
ation to modelize experimental Raman frequencies. Furthermore, we discuss t
he structure and the electronic properties of this complex by means of spec
troscopic techniques such as photoluminescence and X-Ray Absorption Near-ed
ge Spectroscopy (XANES).