Evidence for Hydrogen-Bond-Mediated Exchange Coupling in an Aqua-Bridged CuII Dimer: Synthesis, Magnetic Study and Correlation with Density Functional Calculations

• Published in: European Journal of Inorganic Chemistry Vol. 2006; no. 2; pp. 329 - 333
• Main Authors: Talukder, Pritha, Sen, Soma, Mitra, Samiran, Dahlenberg, Lutz, Desplanches, Cédric, Sutter, Jean-Pascal
• Format: Book Review Journal Article
• Language: English
• Published: Weinheim WILEY-VCH Verlag 01.01.2006; WILEY‐VCH Verlag; Wiley-VCH Verlag
• Subjects: Bridging ligands; Chemical Sciences; Copper; Density functional calculations; Exchange interactions; Hydrogen bonds; Material chemistry; Density functional calculations; Hydrogen bonds; Copper; Bridging ligands; Exchange interactions
• ISSN: 1434-1948; 1099-0682
• DOI: 10.1002/ejic.200500700

A rare example of a mono‐aqua‐bridged copper(II) dimer,namely [Cu2(μ2‐H2O)L2(H2O)2](ClO4)2·2H2O (1), has been synthesised and its structure determined by single‐crystal X‐ray diffraction. Each CuII centre is in a square‐pyramidal surrounding formed by a Schiff base and a terminal H2O ligand; a second H2O ligand, which acts as a bridge, is common to two metal ions. Hydrogen bonds between the H2O ligand and the Schiff base of the adjacent centre complete the intra‐dimer linkages. This compound exhibits an antiferromagnetic behaviour (J = –13.2 cm–1, H = –JS1·S2), and density functional calculations clearly establish that the main exchange does not proceed through the bridging H2O but is mediated by the intra‐dimer H‐bonds.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)