Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Cobalt complexes of the chelating dicarboxylate ligand "esp": a paddlewheel-type dimer and a heptanuclear coordination cluster.

ABSTRACT: The coordination chemistry of Co(ii) with the chelating dicarboxylate ligand esp (esp = ?,?,?',?'-tetramethyl-1,3-benzenedipropionate) is explored. We report here the bimetallic paddlewheel-type dimer, Co2(esp)2(EtOH)2 (1), and a bowl-shaped, heptanuclear coordination cluster, Co7(OH)4(Hesp)2(esp)4(MeCN)2·4MeCN (2). Crystal structures of both complexes are reported as well as their magnetic properties, which indicate antiferromagnetic interactions among the Co(ii) ions.

SUBMITTER: Pakula RJ

PROVIDER: S-EPMC6774636 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Cobalt complexes of the chelating dicarboxylate ligand "esp": a paddlewheel-type dimer and a heptanuclear coordination cluster.

Pakula Ryan J RJ Berry John F JF

Dalton transactions (Cambridge, England : 2003) 20181001 39

The coordination chemistry of Co(ii) with the chelating dicarboxylate ligand esp (esp = α,α,α',α'-tetramethyl-1,3-benzenedipropionate) is explored. We report here the bimetallic paddlewheel-type dimer, Co2(esp)2(EtOH)2 (1), and a bowl-shaped, heptanuclear coordination cluster, Co7(OH)4(Hesp)2(esp)4(MeCN)2·4MeCN (2). Crystal structures of both complexes are reported as well as their magnetic properties, which indicate antiferromagnetic interactions among the Co(ii) ions. ...[more]

PMID: 30225479

Similar Datasets

Methane Storage in Paddlewheel-Based Porous Coordination Cages.

Project description:Although gas adsorption properties of extended three-dimensional metal-organic materials have been widely studied, they remain relatively unexplored in porous molecular systems. This is particularly the case for porous coordination cages for which surface areas are typically not reported. Herein, we report the synthesis, characterization, activation, and gas adsorption properties of a family of carbazole-based cages. The chromium analog displays a coordination cage record BET (Brunauer-Emmett-Teller) surface area of 1235 m2/g. With precise synthesis and activation procedures, two previously reported cages similarly display high surface areas. The materials exhibit high methane adsorption capacities at 65 bar with the chromium(II) cage displaying CH4 capacities of 194 cm3/g and 148 cm3/cm3. This high uptake is a result of optimal pore design, which was confirmed via powder neutron diffraction experiments.

| S-EPMC6207189 | biostudies-literature

Diverse Lanthanide Coordination Polymers with 3,3'-Dimethylcyclopropane-1,2-dicarboxylate Ligand: Synthesis, Crystal Structure, and Properties.

Project description:In an attempt to investigate the influence of many variables on the synthesis of lanthanide coordination polymers (Ln-CPs) assembled from the ligand 3,3-dimethylcyclopropane-1,2-dicarboxylic acid, three different Ln-CPs with formulae [La9(μ4-dcd)12(μ3-O)2(H)] n (1), [Gd4(μ4-dcd)6(H2O)] n (2), and [Gd2(μ3-OH)2(μ3-dcd)(μ2-ac)2(H2O)] n (3) (dcd = 3,3-dimethylcyclopropane-1,2-dicarboxylate, ac = acetate) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, thermal analysis, powder X-ray diffraction, and single X-ray diffraction techniques. 1 represents the first report of the three-dimensional (3D) Ln-CPs based on nonanuclear lanthanide clusters, although it shows extremely low gas uptakes. 2 exhibits one of the previously reported 3D lanthanide wheel cluster-like frameworks. 3 characterizes a novel one-dimensional ladder-like chain [Gd4(OH)4] n decorated with mixed ligand ribbons. Variable-temperature magnetic susceptibility measurement reveals that the shortest Gd···Gd distance in 3 induces the antiferromagnetic interactions between adjacent Gd3+ cations within the hydroxyl-bridged binuclear unit. Remarkably, magnetic investigation for 2 indicates a unique metamagnetic transition from the antiferromagnet to ferromagnet. Furthermore, magnetic studies for 2 also exhibit the presence of significant magnetocaloric effect with a large magnetic entropy change.

| S-EPMC6644930 | biostudies-literature

Heteroleptic LaIII Anilate/Dicarboxylate Based Neutral 3D-Coordination Polymers.

Project description:Three new 3D metal-organic frameworks of lanthanum based on mixed anionic ligands, [(La2(pQ)2(BDC)4)·4DMF]n, [(La2(pQ)2(DHBDC)4)·4DMF]n, [(La2(CA)2(BDC)4)·4DMF]n (pQ-dianion of 2,5-dihydroxy-3,6-di-tert-butyl-para-quinone, CA-dianion of chloranilic acid, BDC-1,4-benzenedicarboxylate, DHBDC-2,5-dihydroxy-1,4-benzenedicarboxylate and DMF-N,N'-dimethylformamide), were synthesized using solvothermal methodology. Coordination polymers demonstrate the rare xah or 4,6T187 topology of a 3D framework. The homoleptic 2D-coordination polymer [(La2(pQ)3)·4DMF]n was obtained as a by-product in the course of synthetic procedure optimization. The thermal stability, spectral characteristics and porosity of coordination polymers were investigated.

| S-EPMC8123117 | biostudies-literature

Cobalt-centred boron molecular drums with the highest coordination number in the CoB16- cluster.

Project description:The electron deficiency and strong bonding capacity of boron have led to a vast variety of molecular structures in chemistry and materials science. Here we report the observation of highly symmetric cobalt-centered boron drum-like structures of CoB16(-), characterized by photoelectron spectroscopy and ab initio calculations. The photoelectron spectra display a relatively simple spectral pattern, suggesting a high symmetry structure. Two nearly degenerate isomers with D8d (I) and C4v (II) symmetries are found computationally to compete for the global minimum. These drum-like structures consist of two B8 rings sandwiching a cobalt atom, which has the highest coordination number known heretofore in chemistry. We show that doping of boron clusters with a transition metal atom induces an earlier two-dimensional to three-dimensional structural transition. The CoB16(-) cluster is tested as a building block in a triple-decker sandwich, suggesting a promising route for its realization in the solid state.

| S-EPMC4633964 | biostudies-literature

Enantiopure Chiral Coordination Polymers Based on Polynuclear Paddlewheel Helices and Arsenyl Tartrate.

Project description:Herein, we report the preparation of chiral, one-dimensional coordination polymers based on trinuclear paddlewheel helices [M₃(dpa)₄]2+ (M = Co(II) and Ni(II); dpa = the anion of 2,2'-dipyridylamine). Enantiomeric resolution of a racemic mixture of [M₃(dpa)₄]2+ complexes was achieved by chiral recognition of the respective enantiomer by [Δ-As₂(tartrate)₂]2- or [Λ-As₂(tartrate)₂]2- in N,N-dimethylformamide (DMF), affording crystalline coordination polymers formed from [(Δ-Co₃(dpa)₄)(Λ-As₂(tartrate)₂)]·3DMF (Δ-1), [(Λ-Co₃(dpa)₄)(Δ-As₂(tartrate)₂)]·3DMF (Λ-1), [(Δ-Ni₃(dpa)₄)(Λ-As₂(tartrate)₂)]·(4 - n)DMF∙nEt₂O (Δ-2) or [(Λ-Ni₃(dpa)₄)(Δ-As₂(tartrate)₂)]·(4 - n)DMF∙nEt₂O (Λ-2) repeating units. UV-visible circular dichroism spectra of the complexes in DMF solutions demonstrate the efficient isolation of optically active species. The helicoidal [M₃(dpa)₄]2+ units that were obtained display high stability towards racemization as shown by the absence of an evolution of the dichroic signals after several days at room temperature and only a small decrease of the signal after 3 h at 80 °C.

| S-EPMC6414907 | biostudies-literature

Nickel(II) Coordination Polymers Supported by Bis-pyridyl-bis-amide and Angular Dicarboxylate Ligands: Role of Ligand Flexibility in Iodine Adsorption.

Project description:Reactions of N'N'-bis(3-pyridylmethyl)oxalamide (L1), N'N'-bis(4-pyridylmethyl)oxalamide (L2), or N,N'-bis(3-pyridylmethyl)adipoamide) (L3) with angular dicarboxylic acids and Ni(II) salts under hydro(solvo)thermal conditions afforded a series of coordination polymers: {[Ni(L1)(OBA)(H2O)]·H2O}n (H2OBA = 4,4-oxydibenzoic acid), 1, {[Ni(L1)(SDA)(H2O)2]·H2O·CH3OH}n (H2SDA = 4,4-sulfonyldibenzoic acid), 2, {[Ni(L2)(OBA)]·C2H5OH}n, 3, {[Ni(L2)(OBA)]·CH3OH}n, 4, {[Ni2(L2)(SDA)2(H2O)3]·5H2O}n, 5, {[Ni2(L2)(SDA)2(H2O)3]·H2O·2C2H5OH}n, 6, {[Ni(L3)(OBA)(H2O)2]·2H2O}n, 7, {[Ni(L3)(SDA)(H2O)2]·2H2O}n, 8, and {[Ni(L3)0.5(SDA)(H2O)2]·0.5C2H5OH}n, 9, which have been structurally characterized by using single-crystal X-ray crystallography. Complex 1 exhibits an interdigitated 2D layer with the 2,4L2 topology and 2 is a 2D layer with the sql topology, while 3 and 4 are 3D frameworks resulting from polycatenated 2D nets with the sql topology and 5 and 6 are 2-fold interpenetrated 3D frameworks with the dia topology. Complexes 7 and 8 are 1D looped chains and 9 is a 2D layer with the 3,4L13 topology. The various structural types in 1-9 indicate that the structural diversity is subject to the flexibility and donor atom position of the neutral spacer ligands and the identity of the angular dicarboxylate ligands, while the role of the solvent is uncertain. The iodine adsorption of 1-9 was also investigated, demonstrating that that the flexibility of the spacer L1-L3 ligands can be an important factor that governs the feasibility of the iodine adsorption. Moreover, complex 9 shows a better iodine adsorption and encapsulates 166.55 mg g-1 iodine in the vapor phase at 60 °C, which corresponded to 0.38 molecules of iodine per formula unit.

| S-EPMC8998537 | biostudies-literature

Mixed-ligand complexes of paddlewheel dinuclear molybdenum as hydrodehalogenation catalysts for polyhaloalkanes.

Project description:We developed a hydrodehalogenation reaction of polyhaloalkanes catalyzed by paddlewheel dimolybdenum complexes in combination with 1-methyl-3,6-bis(trimethylsilyl)-1,4-cyclohexadiene (MBTCD) as a non-toxic H-atom source as well as a salt-free reductant. A mixed-ligated dimolybdenum complex Mo2(OAc)2[CH(NAr)2]2 (3a, Ar = 4-MeOC6H4) having two acetates and two amidinates exhibited high catalytic activity in the presence of n Bu4NCl, in which [ n Bu4N]2[Mo2{CH(NAr)2}2Cl4] (9a), derived by treating 3a with ClSiMe3 and n Bu4NCl, was generated as a catalytically-active species in the hydrodehalogenation. All reaction processes, oxidation and reduction of the dimolybdenum complex, were clarified by control experiments, and the oxidized product, [ n Bu4N][Mo2{CH(NAr)2}2Cl4] (10a), was characterized by EPR and X-ray diffraction studies. Kinetic analysis of the hydrodehalogenation reaction as well as a deuterium-labelling experiment using MBTCD-d8 suggested that the H-abstraction was the rate-determining step for the catalytic reaction.

| S-EPMC5659211 | biostudies-literature

Combinatorial design of multimeric chelating peptoids for selective metal coordination.

Project description:Current methods for metal chelation are generally based on multidentate organic ligands, which are generated through cumbersome multistep synthetic processes that lack flexibility for systematically varying metal-binding motifs. Octadentate ligands incorporating hydroxypyridinone or catecholamide binding moieties onto a spermine scaffold are known to display some of the highest affinities towards f-elements. Enhancing binding affinity for specific lanthanide or actinide ions however, necessitates ligand architectures that allow for modular and high throughput synthesis. Here we introduce a high-throughput combinatorial library of 16 tetrameric N-substituted glycine oligomers (peptoids) containing hydroxypyridinone or catecholamide chelating units linked via an ethylenediamine bridge and, for comparison, we also synthesized the corresponding mixed ligands derived from the spermine scaffold: 3,4,3-LI(1,2-HOPO)2(CAM)2 and 3,4,3-LI(CAM)2(1,2-HOPO)2. Coordination-based luminescence studies were carried out with Eu3+ and Tb3+ to begin probing the properties of the new ligand architecture and revealed higher sensitization efficiency with the spermine scaffold as well as different spectroscopic features among the structural peptoid isomers. Solution thermodynamic properties of selected ligands revealed different coordination properties between the spermine and peptoid analogues with Eu3+ stability constants log β 110 ranging from 28.88 ± 3.45 to 43.97 ± 0.49. The general synthetic strategy presented here paves the way for precision design of new specific and versatile ligands, with a variety of applications tailored towards the use of f-elements, including separations, optical device optimization, and pharmaceutical development.

| S-EPMC6657411 | biostudies-literature

Double-walled <b>pyr</b> topology networks from a novel fluoride-bridged heptanuclear metal cluster.

Project description:Two isostructural metal-organic materials, Tripp-1-M (Tripp = 2,4,6-tris(4-pyridyl)pyridine; M = Co, Ni), that exhibit binodal 3,6-connected pyr network topology have been prepared and characterized. Tripp-1-M are based upon a novel M7F122+ cluster that possesses 12 connection points but, because of double cross-linking by 3-connected Tripp ligands, it functions as a 6-connected supermolecular building block (SBB).

| S-EPMC5502393 | biostudies-literature

Coordination Polymers from Biphenyl-Dicarboxylate Linkers: Synthesis, Structural Diversity, Interpenetration, and Catalytic Properties.

Project description:The present work explores two biphenyl-dicarboxylate linkers, 3,3'-dihydroxy-(1,1'-biphenyl)-4,4'-dicarboxylic (H4L1) and 4,4'-dihydroxy-(1,1'-biphenyl)-3,3'-dicarboxylic (H4L2) acids, in hydrothermal generation of nine new compounds formulated as [Co2(μ2-H2L1)2(phen)2(H2O)4] (1), [Mn2(μ4-H2L1)2(phen)2]n·4nH2O (2), [Zn(μ2-H2L1)(2,2'-bipy)(H2O)]n (3), [Cd(μ2-H2L1) (2,2'-bipy)(H2O)]n (4), [Mn2(μ2-H2L1)(μ4-H2L1)(μ2-4,4'-bipy)2]n·4nH2O (5), [Zn(μ2-H2L1)(μ2-4,4'-bipy)]n (6), [Zn(μ2-H2L2)(phen)]n (7), [Cd(μ3-H2L2)(phen)]n (8), and [Cu(μ2-H2L2) (μ2-4,4'-bipy)(H2O)]n (9). These coordination polymers (CPs) were generated by reacting a metal(II) chloride, a H4L1 or H4L2 linker, and a crystallization mediator such as 2,2'-bipy (2,2'-bipyridine), 4,4'-bipy (4,4'-bipyridine), or phen (1,10-phenanthroline). The structural types of 1-9 range from molecular dimers (1) to one-dimensional (3, 4, 7) and two-dimensional (8, 9) CPs as well as three-dimensional metal-organic frameworks (2, 5, 6). Their structural, topological, and interpenetration features were underlined, including an identification of unique two- and fivefold 3D + 3D interpenetrated nets in 5 and 6. Phase purity, thermal and luminescence behavior, as well as catalytic activity of the synthesized products were investigated. Particularly, a Zn(II)-based CP 3 acts as an effective and recyclable heterogeneous catalyst for Henry reaction between a model substrate (4-nitrobenzaldehyde) and nitroethane to give β-nitro alcohol products. For this reaction, various parameters were optimized, followed by the investigation of the substrate scope. By reporting nine new compounds and their structural traits and functional properties, the present work further outspreads a family of CPs constructed from the biphenyl-dicarboxylate H4L1 and H4L2 linkers.

| S-EPMC9775469 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data