A butterfly-shaped water tetramer in a Cu4 complex supported by a hydrazone ligand: Synthesis, crystal structure, magnetic properties, and quantum chemical study

Banerjee S, Sen S, Chakraborty J, Butcher RJ, García CJ, Puchta R, Mitra S (2009)

Publication Type: Journal article

Publication year: 2009

Journal

Australian Journal of Chemistry CSIRO Publishing

Book Volume: 62

Pages Range: 1614-1621

Journal Issue: 12

DOI: 10.1071/CH09192

Abstract

A potentially tetradentate NOOO donor hydrazone ligand, LH2 (condensation product of benzhydrazide with O-vanillin) generates a tetranuclear Cu^II complex [Cu4(L)4]·4H2O (1), whose void spaces are occupied by water tetramers presenting a 'butterfly' conformation with the highest dihedral angle reported to date, as revealed by its X-ray crystal structure. 1 has also been characterized using various spectroscopic techniques, including IR, UV-vis, and elemental analysis. Variable temperature magnetic susceptibility measurements reveal the presence of moderate antiferromagnetic intra-tetramer coupling between the four Cu ^II centres connected through simple oxo groups of the hydrazone ligand with two different coupling constants (J1 = -61.7(3) cm ^-1 and J2 = -92(1) cm^-1) corresponding to the two different Cu^II tetramers identified in the X-ray structure. We also report a quantum chemical study (MP2(full)/6-311+G(3df,2p)//B3LYP/6- 311+G(3df,2p)) to calculate the stability of the water tetramers. © 2010 CSIRO.

Authors with CRIS profile

Ralph Puchta Lehrstuhl für Anorganische und Metallorganische Chemie

Involved external institutions

Jadavpur University

India (IN) University of València / Universitat de València

Spain (ES) Howard University

United States (USA) (US)

How to cite

APA:

Banerjee, S., Sen, S., Chakraborty, J., Butcher, R.J., García, C.J., Puchta, R., & Mitra, S. (2009). A butterfly-shaped water tetramer in a Cu4 complex supported by a hydrazone ligand: Synthesis, crystal structure, magnetic properties, and quantum chemical study. Australian Journal of Chemistry, 62(12), 1614-1621. https://doi.org/10.1071/CH09192

MLA:

Banerjee, Sambuddha, et al. "A butterfly-shaped water tetramer in a Cu4 complex supported by a hydrazone ligand: Synthesis, crystal structure, magnetic properties, and quantum chemical study." Australian Journal of Chemistry 62.12 (2009): 1614-1621.

BibTeX: Download