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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 5
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Research Articles

Characterisation of geometric isomers of europium chlorides with 2,2′-bipyridine based on X-ray diffraction, luminescence and quantum chemical data

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Pages 557-572 | Received 23 Nov 2009, Accepted 08 Jan 2010, Published online: 29 Mar 2010
 

Abstract

A low-temperature high-resolution luminescence study of the EuCl3bpy2(H2O) n isomers has been carried out. The Eu3+ luminescence spectra of all geometric isomers were recorded over the spectral range which includes transitions from the 5D0 excited state to the 7F0–4 ground state manifolds and from the 5D1 excited state to the 7F0–2 ground state manifolds. Analysis of the Eu3+ transitions observed in the luminescence spectra shows that the Eu3+ ion occupies a spectroscopic site symmetry that approaches a C2 v symmetry with distortion towards C2 or lower symmetry. The structural features and distortions of the Eu3+ coordination polyhedron in these geometric isomers were described based on the X-ray crystallographic data as well. The splitting patterns and energies found of the 7F0–4 manifolds have been used to calculate the crystal field parameters (CFPs) of the Eu3+ ions in these geometric isomers. In addition the mutual influence of the ligands as well as the relative stability of geometric isomers of the [EuCl3bpy2(H2O)2]+ cation in the gas phase was analyzed within DFT calculations.

Acknowledgements

The authors thank Professor V.F. Zolin for providing the program for CFP calculation and Professor M.F. Ried for helpful discussions. This study was financially supported by the Russian Foundation for Basic Research (Grants no. 09-03-00603, 09-03-12065, 10-03-00898) and the Foundation of the President of the Russian Federation (Federal Program for the Support of Young Doctors, Grant MD-237.2010.3 and MK-6026.2008.9).

Notes

Supplementary material can be viewed online.

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