SearchPublisher and Institutes
You are here: Home :: Area NEM :: Chemistry :: Inorganic chemistry
Claude Lecomte, V. Dahaoui-Gindrey, F. Barbette, P. Pullumbi, C.P. Gros, R. Guilard, Slimane Dahaoui
Confirmation by an X-ray crystallography study of a molecular modeling prediction about the coordination scheme of a new (1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane)cerium(III) complex
The synthesis and characterization of a new cerium(III) complex with the ligand 1,4,8,11-(tetra-2-carboxyethyl)-1,4,8,11-tetraazacyclotetradecane (TETP), Ce(C22N4O8H38)(NO3)(H2O)3 · 3 H2O, is described. The cerium ion is eight-coordinated, linked to four carboxyl oxygen atoms belonging to four different TETP macrocycles as well as to three solvate water molecules, and to one oxygen atom of a disordered NO3- anion. Each asymmetric unit consists of two different half TETP ligands. Each centrosymmetric TETP macrocycle possesses a [3434] conformation, two propionate arms being extended and the others folded towards two protonated nitrogen atoms. The four functionalized chains of the ligand whatever their conformation (extended or folded) are involved in the coordination polyhedron of cerium ion. This coordination mode was predicted from Molecular Electrostatic Potential calculations which showed the more negative potential sites of the ligand where the lanthanide cation would approach and coordinate.
Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag
Print ISSN: 0044-2968
Volume: 215, 05/2000
Pages: 293