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This paper describes the synthesis and structural characterization of two new one-dimensional coordination polymers involving 1,3-bis(4-pyridyl)propane ligand named {(μ-NCS)2[Cu(bpp)] ·dmf} n ( 1) and {[Cu(mebpy)(bpp)(dmso)](ClO4)2 ·dmso} n ( 2) (bpp = 1,3-bis(4-pyridyl)propane and mebpy = 4,4'-dimethyl-2,2'-bipyridine). These compounds were characterized by means of elemental analysis, thermal analysis (TG/DTA), vibrational spectroscopy (IR and Raman) and had their structures determined by single-crystal X-ray diffraction analysis. Compound 1 consists of CuN4 coordination spheres with bpp ligands in the unusual GG conformation coordinated in bridges between CuII centers to form a wavelike 1-D coordination polymer. On the other hand, in compound 2 the bpp ligand adopts the TT conformation in bridging mode extending the 1D cationic polymeric chain. [ABSTRACT FROM AUTHOR]

The monomeric complex [Cu(L1)2(EDA)] (I) [L1 = 2,4- dinitrobenzoic acid, EDA = ethylenediamine), was solved in orthorhombic space group (Pbca) and characterized by elemental analysis, IR spectroscopy, powder XRD analysis and single-crystal X-ray crystallography, in addition to photoluminescence and thermal stability investigation. The Cu2+ ion is connecting with two L1 through monodentate mode of coordination and two nitrogen atoms from EDA. I is associated through cooperative non-covalent interactions, which are also responsible for the strengthening of the molecular assembly and organize it into a supramolecular 2D motif. Hirshfeld surface analysis was also applied to investigate the cooperative non-covalent supra-molecular interactions and the results were compared with the singlecrystal X-ray diffraction data. To get clear insights into the both species, electronic properties such as HOMO-LUMO, electronic chemical potential and other derived parameters were also highlighted using DFT calculations at M06-2X/ 6-31G8 8 level of theory. The observed photoluminescence of complex I arises mainly from an excited LLCT state with small MLCT contributions (from Cu2+ to the unoccupied p orbital of L1). The presented work exhibits another example of the utility and prosperity of such kinds of subtle information and features especially and for complex I at molecular level, generally. [ABSTRACT FROM AUTHOR]

1-(Furan-2-ylmethyl)-1 H-tetrazole (fmt), prepared by heterocyclization of furfurylamine with triethyl orthoformate and sodium azide, was found to react with copper(II) perchlorate, nitrate, and bromide giving complexes [Cu(fmt)4(H2O)2](ClO4)2, [Cu(fmt)3(NO3)2(H2O)], and [Cu2(fmt)4Br4], respectively. The obtained crystalline complexes and fmt were characterized by X-ray diffraction, thermal analyses, and IR spectroscopy. In the complexes, fmt acts as a monodentate ligand coordinated via the tetrazole ring N4 atom. [Cu(fmt)4(H2O)2](ClO4)2 comprises a mononuclear complex cation with an elongated CuN4O2 octahedron. [Cu(fmt)3(NO3)2(H2O)] presents a mononuclear complex, where the copper atom is in a heptacoordinate environment forming a considerably distorted pentagonal bipyramid. [Cu2(fmt)4Br4] presents a centrosymmetric dinuclear bromido-bridged complex with a square pyramidal environment of copper atoms. [ABSTRACT FROM AUTHOR]