title: Hydrothermal synthesis, X-ray structure and DFT and magnetic studies of a (H2SiW12O40)(2-) based one-dimensional linear coordination polymer.
abstract: In this paper, we report the synthesis and characterization of a novel hybrid with an inorganic-organic structure formulated as [[Nd2(L(1))2(L(2))(H2O)7][H2SiW12O40]]n·4H2O (1), in which HL(1) = nicotinic acid and H2L(2) = 2-hydroxynicotinic acid. Interestingly, L(1) and L(2) are generated from an in situ transformation of the original ligand, pyridine-2,3-dicarboxylic acid under hydrothermal conditions. Structural analysis showed that this compound is a one-dimensional linear coordination polymer constructed from a repetition of the Keggin anion as a bidentate bridging ligand and one propeller-like dinuclear neodymium complex. Furthermore, in the packing arrangement, hydrogen bonds and anion-π interactions connect the adjacent chains to extend the structure into a 3D architecture. The magnetic properties of this compound have also been studied by measuring its magnetic susceptibility in the temperature range 1.8-300 K. We also analyzed the coordination ability of the SiW12 Keggin anion in the reported structures up to now. Finally, we have performed a DFT computational study on the noncovalent anion-π interactions between the Keggin anion and the aromatic ligands coordinated to Nd.
authors: Department of Chemistry, Ferdowsi University of Mashhad, Mashhad 917751436, Iran. mirzaeesh@um.ac.ir heshtiagh@um.ac.ir.
authors: Masoud
authors: M
authors: Mirzaei
authors: Hossein
authors: H
authors: Eshtiagh-Hosseini
authors: Mahboubeh
authors: M
authors: Alipour
authors: Antonio
authors: A
authors: Bauzá
authors: Joel T
authors: JT
authors: Mague
authors: Maria
authors: M
authors: Korabik
authors: Antonio
authors: A
authors: Frontera