title: On the use of ligand field parameters in the study of coordinated water molecules in Eu3+ complexes.
abstract: A new methodology is proposed by which the number of coordinated water molecules, n, can be estimated in Eu(3+) complexes. It is based on a comparison between the theoretical and experimental Stark levels, the former being calculated by assuming that n varies from 0 to 4 and predicting the so-called ligand field parameters, . The methodology, initially developed in the study of the Eu(pya)(3).nH(2)O complex, has been applied successfully to beta-diketonate complexes of Eu(3+), for which crystallographic and luminescence data are available.
authors.affiliation: Department of Chemistry and Biochemistry, Universität Bern, Freiestr. 3, 3012 Bern, Switzerland. rodrigo@iac.unibe.ch
authors.forename: R Q
authors.initials: RQ
authors.lastname: Albuquerque
authors.forename: R O
authors.initials: RO
authors.lastname: Freire
authors.forename: O L
authors.initials: OL
authors.lastname: Malta
mesh_terms: D002627:Chemistry, Physical / Q000379:methods*; D003461:Crystallography; D005063:Europium / Q000737:chemistry*; D007659:Ketones / Q000737:chemistry; D008024:Ligands; D008958:Models, Molecular; D015233:Models, Statistical; D015394:Molecular Structure; D010100:Oxygen / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: D007659:Ketones; D008024:Ligands; D014867:Water; D005063:Europium; D010100:Oxygen