Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling : a challenge for current density functionals

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Crystal structure and Hirshfeld surface analysis of a new mononuclear copper(II) complex: [bis(pyridin-2-yl-κN)amine](formato-κO)(m-hydroxybenzoato-κ2O,O′)copper(II)

A new mononuclear copper(II) complex, [Cu(C7H5O3)(HCO2)(C10H9N3)], containing mixed N- and O-donor ligands, 2,2′-dipyridylamine (dpyam) and m-hydroxybenzoate (m-OHbenz), has been obtained from a solvent mixture. The coordination environment of the CuII ion is distorted square-pyramidal with a [N2O3] coordination set originating from the chelating dpyam and m-OHbenz ligands in the basal plane and the O atom of a formato ligand at the apical position. The crystal structure of the title complex is stabilized by N—H...O, O—H...O, C—H...O hydrogen-bonding, π–π and C—H...π intermolecular interactions, which were quantified by Hirshfeld surface analysis

Di-μ-acetato-κ4O:O′-bis[(1,10-phenanthroline-κ2N,N′)(trifluoromethanesulfonato-κO)copper(II)]

The complete molecule of the title compound, [Cu2(C2H3O2)2(CF3O3S)2(C12H8N2)2], is completed by the application of a twofold rotation and comprises two CuII ions, each of which is pentacoordinated by two N atoms from a bidentate 1,10-phenanthroline (phen) ligand, two O atoms from acetate ligands and an O atom from a trifluoromethanesulfonate anion, forming a (4 + 1) distorted square-pyramidal coordination geometry. The CuII ions are connected by two acetate bridges in a syn–syn configuration. The F atoms of the trifluoromethanesulfonate ligands are disordered, with site-occupation factors of 70 and 30. The molecular structure is stabilized by intramolecular face-to-face π–π interactions with centroid–centroid distances in the range 3.5654 (12)–3.8775(12) Å. The crystal structure is stabilized by C—H...O interactions, leading to a three-dimensional lattice structure

Crystal structure of poly[diaquabis(μ5-benzene-1,3-dicarboxylato)(N,N-dimethylformamide)cadmium(II)disodium(I)]

The title compound, [CdNa2(C8H4O4)2(C3H7NO)(H2O)2]n or [CdNa2(1,3-bdc)2(DMF)(H2O)2]n, is a new CdII–NaI heterobimetallic coordination polymer. The asymmetric unit consists of one CdII atom, two NaI atoms, two 1,3-bdc ligands, two coordinated water molecules and one coordinated DMF molecule. The CdII atom exhibits a seven-coordinate geometry, while the NaI atoms can be considered to be pentacoordinate. The metal ions and their symmetry-related equivalents are connected via chelating–bridging carboxylate groups of the 1,3-bdc ligands to generate a three-dimensional framework. In the crystal, there are classical O—H...O hydrogen bonds involving the coordinated water molecules and the 1,3-bdc carboxylate groups and π–π stacking between the benzene rings of the 1,3-bdc ligands present within the frameworks

Crystal structure of a two-dimensional grid-type iron(II) coordination polymer: poly[[diaquatetra-μ-cyanido-diargentate(I)iron(II)] trans-1,2-bis(pyridin-2-yl)ethylene disolvate]

In the title compound, {[Ag2Fe(CN)4(H2O)2]·2C12H10N2}n, the asymmetric unit contains one FeII cation, two water molecules, two dicyanidoargentate(I) anions and two uncoordinating 1,2-bis(pyridin-2-yl)ethylene (2,2′-bpe) molecules. Each FeII atom is six-coordinated in a nearly regular octahedral geometry by four N atoms from dicyanidoargentate(I) bridges and two coordinating water molecules. The FeII atoms are bridged by dicyanidoargentate(I) units to give a two-dimensional layer with square-grid spaces. The intergrid spaces with interlayer distance of 6.550 (2) Å are occupied by 2,2′-bpe guest molecules which form O—H...N hydrogen bonds to the host layers. This leads to an extended three-dimensional supramolecular architecture. The structure of the title compound is compared with some related compounds containing dicyanidoargentate(I) ligands and N-donor organic co-ligands

Drastic effect of lattice propionitrile molecules on the spin-transition temperature of a 2,2'-dipyridylamino/s-triazine-based iron(II) complex

et al.Reaction of iron(II) selenocyanate (obtained from Fe(ClO4)2 and KNCSe) with 2-(N,N-bis(2-pyridyl)amino)-4,6-bis(pentafluorophenoxy)-(1,3,5)triazine (L1F) in propionitrile produces the compound [Fe(L1F)2(NCSe)2].2CH3CH2CN (1NCSe.2PrCN), which shows spin-crossover (SCO) properties characterized by a T1/2 of 283 K and a ?T80 (i.e., temperature range within which 80% of the transition considered occurs) of about 65 K. Upon air exposure, 1NCSe.2PrCN gradually converts to a new SCO species that exhibits different properties, as reflected by T1/2 = 220 K and ?T80 = 70 K. Various characterization techniques, namely, IR spectroscopy, thermogravimetric analysis, and thermodiffractometric studies, reveal that the new phase is obtained through the loss of the lattice propionitrile molecules within several days upon air exposure or several hours upon heating above 390 K.P.G. acknowledges ICREA (Institució Catalana de Recerca i Estudis Avanca̧ ts) and the Ministerio de Economía y Competitividad of Spain (project CTQ2011-27929-C02-01). N.W. thanks the Royal Golden Jubilee Ph.D. Program (RGJ, grant no. PHD/0234/2550) and Khon Kaen University for a research grant. S.Y. acknowledges The Thailand Research Fund, the National Research University Project of Thailand, Office of the Higher Education Commission, through the Advanced Functional Materials Cluster of Khon Kaen University and the Center of Excellence for Innovation in Chemistry (PERCH-CIC), Office of the Higher Education Commission, Ministry of Education. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences of the U.S. Department of Energy under contract no. DE-AC02-05CH11231. O.R. acknowledges funding from the Ministerio de Economía y Competitividad of Spain (project MAT2011-24284).Peer Reviewe

Two novel self-interpenetrating 3D iron(II) coordination frameworks:synthesis, spectroscopic and structural characterizations with magnetic properties

The authors acknowledge the algerian MESRS (Ministère de l'Enseignement Supérieur et de la Recherche Scientifique), the algerian DG-RSDT (Direction Générale de la Recherche Scientifique et du Développement Technologique) and Ferhat Abbas University for financial support. SY acknowledges The Thailand Research Fund (Grant No. BRG5680009), the National Research University Project of Thailand, Office of the Higher Education Commission, and the Center of Excellence for Innovation in Chemistry (PERCH-CIC), Office of the Higher Education Commission, Ministry of Education, Thailand. NW thanks Central Scientific Instrument Center (CSIC), Faculty of Science and Technology, Thammasat University, Thailand.Two novel self-interpenetrating 3D Fe(II) coordination frameworks namely {Fe(4,4′-bpy)[Ag2(CN)3]2}n ( I ) and {Fe(4,4′-bpy)[Ag(CN)2]2[AgCN]2}n ( II ) have been synthesized and fully characterized. The 3D architectures and degree of interpenetration of these coordination frameworks were significantly affected by silver(I) cyanide species. The crystal structure of I presents 4-fold interpenetrating 3D framework with 4,4′-bpy and [Ag2(CN)3]− species. While, that of II constructed by 4,4′-bpy and two different silver(I) cyanide species, AgCN and [Ag(CN)2]− resulting to 2-fold interpenetrating 3D framework. The stability and rigidity of both coordination frameworks are mainly supported dominantly by AgI ⋯ AgI interactions. Their magnetic properties exhibit high spin behavior.PostprintPeer reviewe