Spectroscopy of a eu(iii)-imidazole complex

We have performed semi-empirical calculations on a Eu(III)-imidazole complex. We use a Scaled Quantum Mechanical Force field approach from the MOPAC software. We obtain molecular force constants used in the normal mode calculation to modelize experimental Raman frequencies. Furthermore, we discuss t...

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Bibliographic Details
Published in:Synthetic metals 2000-10, Vol.120 (1-3 Special Issue SI)
Main Authors: Ragot, F., Ivanov, V., Wery, J., Garcia, A., Perry, D.L., Ouvrard, J.G.J., Faulques, E.
Format: Article
Language:English
Subjects:
ABSORPTION SPECTROSCOPY
CALCULATION METHODS
EUROPIUM COMPLEXES
IMIDAZOLES
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
PHOTOLUMINESCENCE
X-RAY SPECTROSCOPY
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Summary:We have performed semi-empirical calculations on a Eu(III)-imidazole complex. We use a Scaled Quantum Mechanical Force field approach from the MOPAC software. We obtain molecular force constants used in the normal mode calculation to modelize experimental Raman frequencies. Furthermore, we discuss the structure and the electronic properties of this complex by means of spectroscopic techniques such as photoluminescence and X-Ray Absorption Near-edge Spectroscopy
ISSN:0379-6779
1879-3290