Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

A Multifunctional 3D Supermolecular Co Coordination Polymer With Potential for CO₂ Adsorption, Antibacterial Activity, and Selective Sensing of Fe³⁺/Cr³⁺ Ions and TNP.

ABSTRACT: A 3D supermolecular structure [Co₃(L)₂ (2,2'-bipy)₂](DMF)₃(H₂O)₃ 1) (H₃L = 4,4',4″-nitrilotribenzoic acid) has been constructed based on H₃L, and 2,2'-bipy ligands under solvothermal conditions. Compound 1 can be described as a (3, 6)-connected kgd topology with a Schläfli symbol (4³)₂(4⁶.6⁶.8³) formed by [Co₃(CO₂)₆] secondary building units. The adsorption properties of the activated sample 1a has been studied; the result shows that 1a has a high adsorption ability: the CO₂ uptakes were 74 cm³·g^-1 at 273 K, 50 cm³·g^-1 at 298 K, the isosteric heat of adsorption (Q_st) is 25.5 kJ mol^-1 at zero loading, and the N₂ adsorption at 77 K, 1 bar is 307 cm³ g^-1. Magnetic measurements showed the existence of an antiferromagnetic exchange interaction in compound 1, besides compound 1 exhibits effective luminescent performance for Fe³⁺/Cr³⁺ and TNP.

SUBMITTER: Zhou X

PROVIDER: S-EPMC8321245 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

A Ni(II) Coordination Polymer as a Multifunctional Luminescent Sensor for Detection of UO22+, Cr2O72-, CrO42- and Nitrofurantoin.

Project description:A new Ni coordination polymer [Ni(MIP)(BMIOPE)]n (1) was constructed (BMIOPE = 4,4'-bis(2-methylimidazol-1-yl)diphenyl ether, and H2MIP = 5-methylisophthalic acid), possessing two-dimensional (2D) twofold parallel interwoven net structure with a 44∙62 point symbol. Complex 1 has been successfully obtained based on mixed-ligand strategy. The fluorescence titration experiments revealed that complex 1 could act as multifunctional luminescent sensor to simultaneously detect UO22+, Cr2O72- and CrO42-, and NFT (nitrofurantoin). The limit of detection (LOD) values for complex 1 are 2.86 × 10-5, 4.09 × 10-5, 3.79 × 10-5 and 9.32 × 10-5 M for UO22+, Cr2O72-, CrO42- and NFT. The Ksv values are 6.18 × 103, 1.44 × 104, 1.27 × 104 and 1.51 × 104 M-1 for NFT, CrO42-, Cr2O72- and UO22+. Finally, the mechanism of its luminescence sensing is studied in detail. These results manifest that complex 1 is a multifunctional sensor for sensitive fluorescent UO22+, Cr2O72-, CrO42- and NFT detection.

| S-EPMC10301772 | biostudies-literature

Versatile Coordination of AgI and CuI Ions towards cyclo-As5 Ligands.

Project description:The reactions of the cyclo-As5 complex [Cp*Fe(η5 -As5 )] (B) with the AgI and CuI salts of the weakly coordinating anion (WCA) [FAl{OC6 F10 (C6 F5 )}3 ]- ([FAl]- ) are studied. These reactions allow the synthesis of the mononuclear complexes [M(η5 : η2 -B)2 ][FAl] (M=Ag (1), Cu (2)) when a ratio of B/M(FAl) 2 : 1 is used. Compound 1 shows an unusual disorder of the central AgI cation between two π-coordinating cyclo-As5 ligands, which is absent in 2 pointing to a weak interaction of the Ag center towards the cyclo-As5 ligands in B. When the ratio of B/Ag(FAl) is changed to 3 : 1 or 1 : 1, the respective coordination compounds [Ag(η2 -B)3 ][FAl] (3) and [Ag2 (η2 : η2 -B)2 ][FAl]2 (4) are accessible. The coordination modes of the cyclo-As5 units in 1, 3 and 4 are all different, reflecting the adaptive coordination behavior of B towards AgI ions. The optimized geometries in the gas phase of 1-4 are determined by DFT calculations to support the bonding situation observed in their solid-state structures.

| S-EPMC8361777 | biostudies-literature

Heterogeneous Epoxide Carbonylation by Cooperative Ion-Pair Catalysis in Co(CO)4--Incorporated Cr-MIL-101.

Project description:Despite the commercial desirability of epoxide carbonylation to ?-lactones, the reliance of this process on homogeneous catalysts makes its industrial application challenging. Here we report the preparation and use of a Co(CO)4--incorporated Cr-MIL-101 (Co(CO)4?Cr-MIL-101, Cr-MIL-101 = Cr3O(BDC)3F, H2BDC = 1,4-benzenedicarboxylic acid) heterogeneous catalyst for the ring-expansion carbonylation of epoxides, whose activity, selectivity, and substrate scope are on par with those of the reported homogeneous catalysts. We ascribe the observed performance to the unique cooperativity between the postsynthetically introduced Co(CO)4- and the site-isolated Lewis acidic Cr(III) centers in the metal-organic framework (MOF). The heterogeneous nature of Co(CO)4?Cr-MIL-101 allows the first demonstration of gas-phase continuous-flow production of ?-lactones from epoxides, attesting to the potential applicability of the heterogeneous epoxide carbonylation strategy.

| S-EPMC5445536 | biostudies-literature

Two zinc(ii) coordination polymers based on flexible co-ligands featuring assembly imparted sensing abilities for Cr2O7 2- and o-NP.

Project description:Two new Zn(ii) coordination complexes, formulated as [Zn(opda)(pbib)] (1) and [Zn(ppda)(pbib)(H2O)] (2), (H2opda = 1,2-phenylenediacetic acid, H2ppda = 1,4-phenylene-diacetic acid, pbib = 1,4-bis(1-imidazoly)benzene), have been synthesized. The opda ligands extend a 1D chain containing (Zn-pbib) polymer chains into a 2D layer in 1. In 2, the ppda ligands link Zn(ii) atoms to form a 2D network, then the rigid bis(imidazole) ligands give rise to the 3D structure. The fluorescence property application and mechanisms of two complexes for detecting Cr2O7 2- and o-NP have been researched. For two complexes, the high quenching percentage in low concentration aqueous solution are 95.75% (Cr2O7 2-, 1), 95.28% (Cr2O7 2-, 2) and 97.56% (o-NP, 1), 96.59% (o-NP, 2). Compared with 2, complex 1 has higher quenching percentage, this could be because 1 is a 3D supramolecular with a large hole. The detection limits have been measured to be 2.992 × 10-7 M (Cr2O7 2-, 1), and 4.372 × 10-7 M (Cr2O7 2-, 2), 2.103 × 10-7 M (o-NP, 1), 1.862 × 10-7 M (o-NP, 2), respectively. The emissions of two complexes could be effectively and selectively quenched by o-NP and Cr2O7 2-, showing their potential as multi-responsive luminescent sensors.

| S-EPMC9065990 | biostudies-literature

Coordination of the Co2+ and Ni2+ Ions in Tf2N- Based Ionic Liquids: A Combined X-ray Absorption and Molecular Dynamics Study.

Project description:Molecular dynamics (MD) simulations and X-ray absorption spectroscopy (XAS) have been combined to study the coordination of the Co2+ and Ni2+ ions in ionic liquids (ILs) based on the bis(trifluoromethylsulfonyl)imide ([Tf2N]-) anion and having different organic cations, namely, 1-butyl-3-methylimidazolium ([C4mim]+), 1,8-bis(3-methylimidazolium-1-yl)octane ([C8(mim)2]2+), N,N,N-trimethyl-N-(2-hydroxyethyl)ammonium ([choline]+), and butyltrimethylammonium ([BTMA]+). Co and Ni K-edge XAS data have been collected on 0.1 mol L-1 Co(Tf2N)2 and Ni(Tf2N)2 solutions and on the metallic salts. MD simulations have been carried out to obtain structural information on the metal ion coordination. The analysis of the extended X-ray absorption fine structure (EXAFS) spectra of the solutions has been carried out based on the atomistic description provided by MD, and the studied ILs have been found to be able to dissolve both the Co(Tf2N)2 and Ni(Tf2N)2 salts giving rise to a different structural arrangement around the metal ions as compared to the solid state. The combined EXAFS and MD results showed that the Co2+ and Ni2+ ions are surrounded by a first solvation shell formed by six [Tf2N]- anions, each coordinating in a monodentate fashion by means of the oxygen atoms. The nature of the IL organic cation has little or no influence on the overall spatial arrangement of the [Tf2N]- anions, so that stable octahedral complexes of the type [M(Tf2N)6]4- (M = Co, Ni) have been observed in all the investigated ILs.

| S-EPMC8279557 | biostudies-literature

Multifunctional Binding Sites on Nitrogen-Doped Carboxylated Porous Carbon for Highly Efficient Adsorption of Pb(II), Hg(II), and Cr(VI) Ions.

Project description:Heavy metal ions represent one of the most toxic and environmentally harmful pollutants of water sources. This work reports the development of a novel chelating nitrogen-doped carboxylated porous carbon (ND-CPC) adsorbent for the effective removal of the heavy metal ions Pb(II), Hg(II), and Cr(VI) from contaminated and polluted water sources. The ND-CPC adsorbent is designed to combine four different types of nitrogen functional groups (graphitic, pyrrolic, pyridinic, and pyridine oxide) with the carboxylic acid functional groups within a high surface area of 1135 ± 20 m2/g of the porous carbon structure. The ND-CPC adsorbent shows exceptionally high adsorption affinity for Pb(II) with a capacity of 721 ± 14 mg/g in addition to high uptake values of 257 ± 5 and 104 ± 2 mg/g for Hg(II) and Cr(VI), respectively. The high adsorption capacity is also coupled with fast kinetics where the equilibrium time required for the 100% removal of Pb(II) from 50 ppb and 10 ppm concentrations is 30 s and 60 min, respectively. Even with the very high concentration of 700 ppm, 74% uptake of Pb(II) is achieved within 90 min. Removal efficiencies of 100% of Pb(II), 96% of Hg(II), 91% of Cu(II), 82% of Zn(II), 25% of Cd(II), and 13% of Ni(II) are achieved from a solution containing 10 ppm concentrations of these ions, thus demonstrating excellent selectivity for Pb(II), Hg(II), and Cu(II) ions. Regeneration of the ND-CPC adsorbent shows excellent desorption efficiencies of 99 and 95% for Pb(II) and Cr(VI) ions, respectively. Because of the fast adsorption kinetics, high removal capacity and excellent regeneration, stability, and reusability, the ND-CPC is proposed as a highly efficient remediation adsorbent for the solid-phase removal of Pb(II), Hg(II), and Cr(VI) from contaminated water.

| S-EPMC7774276 | biostudies-literature

High-Performance Giant Dielectric Properties of Cr3+/Ta5+ Co-Doped TiO2 Ceramics.

Project description:The effects of the sintering temperature on microstructures, electrical properties, and dielectric response of 1%Cr3+/Ta5+ co-doped TiO2 (CrTTO) ceramics prepared using a solid-state reaction method were studied. The mean grain size increased with an increasing sintering temperature range of 1300-1500 °C. The dielectric permittivity of CrTTO ceramics sintered at 1300 °C was very low (ε' ∼198). Interestingly, a low loss tangent (tanδ ∼0.03-0.06) and high ε' (∼1.61-1.9 × 104) with a temperature coefficient less than ≤ ±15% in a temperature range of -60 to 150 °C were obtained. The results demonstrated a higher performance property of the acceptor Cr3+/donor Ta5+ co-doped TiO2 ceramics compared to the Ta5+-doped TiO2 and Cr3+-doped TiO2 ceramics. According to a first-principles study, high-performance giant dielectric properties (HPDPs) did not originate from electron-pinned defect dipoles. By impedance spectroscopy (IS), it was suggested that the giant dielectric response was induced by interfacial polarization at the internal interfaces rather than by the formation of complex defect dipoles. X-ray photoelectron spectroscopy (XPS) results confirmed the existence of Ti3+, resulting in the formation of semiconducting parts in the bulk ceramics. Low tanδ and excellent temperature stability were due to the high resistance of the insulating layers with a very high potential barrier of ∼2.0 eV.

| S-EPMC7841783 | biostudies-literature

The Impact of Cr3+ Doping on Temperature Sensitivity Modulation in Cr3+ Doped and Cr3+, Nd3+ Co-doped Y3Al5O12, Y3Al2Ga3O12, and Y3Ga5O12 Nanothermometers.

Project description:A new approach to enhance the sensitivity of transition metal ion based nanocrystalline luminescent thermometer is presented. It was shown that the increase of Cr3+ concentration in three types of garnet host namely Y3Al5O12, Y3Ga5O12, and Y3Al2Ga3O12 allows for significant enhancement of their performance in non-contact thermometry. This phenomenon is related to the weakening of the crystal field strength due to enlargement of average Cr3+-O2- distance at higher Cr3+ concentrations. By increasing Cr3+ concentration from 0.6 to 30%, the sensitivity increased by over one order of magnitude from S = 0.2%/°C to S = 2.2%/°C at 9°C in Y3Al2Ga3O12 nanocrystals. Moreover, it was found that due to the Cr3+ ? Nd3+ energy transfer in the Cr3+, Nd3+ co-doped system, the usable Cr3+ concentration, for which its emission can be detected, is limited to 10% while the sensitivity at -50°C was doubled (from 1.3%/°C for Y3Al2Ga3O12:10%Cr3+ to 2.2%/°C Y3Al2Ga3O12:10%Cr3+, 1%Nd3+ nanocrystals).

| S-EPMC6157326 | biostudies-literature

IR spectroscopic characterization of the co-adsorption of CO2 and H2 onto cationic Cun+ clusters.

Project description:To understand elementary reaction steps in the hydrogenation of CO2 over copper-based catalysts, we experimentally study the adsorption of CO2 and H2 onto cationic Cun+ clusters. For this, we react Cun+ clusters formed by laser ablation with a mixture of H2 and CO2 in a flow tube-type reaction channel and characterize the products formed by IR multiple-photon dissociation spectroscopy employing the IR free-electron laser FELICE. We analyze the spectra by comparing them to literature spectra of Cun+ clusters reacted with H2 and with new spectra of Cun+ clusters reacted with CO2. The latter indicate that CO2 is physisorbed in an end-on configuration when reacted with the clusters alone. Although the spectra for the co-adsorption products evidence H2 dissociation, no signs for CO2 activation or reduction are observed. This lack of reactivity for CO2 is rationalized by density functional theory calculations, which indicate that CO2 dissociation is hindered by a large reaction barrier. CO2 reduction to formate should energetically be possible, but the lack of formate observation is attributed to kinetic hindering.

| S-EPMC8653698 | biostudies-literature

Effect of Water on CO2 Adsorption on CaNaY Zeolite: Formation of Ca2+(H2O)(CO2), Ca2+(H2O)(CO2)2 and Ca2+(H2O)2(CO2) Complexes.

Project description:Efficient CO2 capture materials must possess a high adsorption capacity, suitable CO2 adsorption enthalpy and resistance to water vapor. We have recently reported that Ca2+ cations exchanged in FAU zeolite can attach up to three CO2 molecules. Here we report the effect of water on the adsorption of CO2. Formation of Ca2+(H2O)(CO2), Ca2+(H2O)(CO2)2 and Ca2+(H2O)2(CO2) mixed ligand complexes were established. The Ca2+(H2O)(CO2) species are readily formed even at ambient temperature and are characterized by ν(12CO2) and ν(13CO2) infrared bands at 2358 and 2293 cm-1, respectively. The Ca2+(H2O)(CO2)2 species are produced at low temperature and are identified by a ν(13CO2) band at 2291 cm-1. In the presence of large amounts of water, Ca2+(H2O)2(CO2) complexes were also evidenced by ν(12CO2) and ν(13CO2) bands at 2348 and 2283 cm-1, respectively. The results demonstrate that, although it has a negative effect on CO2 adsorption uptake, water in moderate amounts does not block CO2 adsorption sites.

| S-EPMC10458211 | biostudies-literature