Structure of Discrete (H 2 O) 12 Clusters in a New Mn(II) Complex with Pyridine-2,3,5,6-tetracarboxylic Acid
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ORIGINAL PAPER
Structure of Discrete (H2O)12 Clusters in a New Mn(II) Complex with Pyridine-2,3,5,6-tetracarboxylic Acid Wen-Xiang Huang • Hong-Lin Zhu Yue-Qing Zheng
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Received: 1 November 2011 / Accepted: 20 September 2012 / Published online: 11 October 2012 Springer Science+Business Media New York 2012
Abstract A new Mn(II) complex formulated as [Mn(bpy) (H2O)4]2[Mn2(bpy)2(pdtc)2]14H2O (1) (where H4pdtc=pyridine-2,3,5,6-tetracarboxylic acid, bpy=2,20 -bipyridine) has been prepared and characterized by IR spectroscopy, elemental analysis and single crystal X-ray diffraction. Complex 1 is tetranuclear and composed of a [Mn2(bpy)2(pdtc)2]4- anion and two [Mn(bpy)(H2O)4]2? cations. The particular interest of complex 1 is the formation of a centrosymmetric water cluster (H2O)12 included a chair-shaped hexamer and two trimer clusters. The tetra-nuclear units are further aggregated by hydrogen bonding with (H2O)12 clusters and pp stacking interactions to form a 3D supramolecular architecture. Keywords Pyridine-2,3,5,6-tetracarboxylic acid Hydrogen bonding Coordination complex Crystal structure
Introduction The theoretical and experimental studies of water clusters have received a great deal of scientific attention than any other substance during the past few years, because studying the behavior of water clusters can provide insight into the mutual interaction of the structural and properties of water in liquid water and ice, biological systems, chemical processes and the diverse water patterns in nature [1–5]. Very recently, a large of publications dealing with the structure of some interesting polymeric water molecule motifs in crystal of organic compounds or coordination
compounds have appeared in the solid state such as containing tetramer-, hexamer-, octamer- and decamer-water clusters [6–8]. Without doubt, the above studies on small water clusters within the lattice of a crystal host can advance the understanding the behavior of bulk water and provide direct information on growth of larger water clusters, and how the clusters were formed [9]. Also, Tsai and Jordon [10] have investigate the water clusters containing eight, 12, 16 and 20 molecules by TIP4P model which indicate that cubic-like structures are the most stable for this size range. However, the high nuclearity (H2O)n clusters with n [ 10 are still need to plentiful. Pyridine-2,3,5,6-tetracarboxylic acid, which contains one pyridine and four carboxylate potential donor groups, should be an effective ligand for the construction of novel coordination modes, and also function as hydrogen-bond donors [11]. The most remarkable example to the construction of hydrogenbonded interpenetrating networks with pyridine-2,3,5,6-tetracarboxylic acid has been made by and co-workers [12] and co-workers, who reported a (H2O)24 clusters which consist of a four-membered ring at the center of the cluster and a five-membered ring connected on each side with every fivemembered ring hydrogen bonded to a water trimer and a water monomer. Herein, pyridine-2,3,5,6-t
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