Molecular insights into the selective action of a magnetically removable complexone-grafted adsorbent

2015 ◽  
Vol 44 (3) ◽  
pp. 1273-1282 ◽  
Author(s):  
Elizabeth Polido Legaria ◽  
Seda Demirel Topel ◽  
Vadim G. Kessler ◽  
Gulaim A. Seisenbaeva
Keyword(s):  
Concerted Action ◽  
Selective Action ◽  
Carboxylate Oxygen ◽  
Hybrid Silica ◽  
Silica Adsorbent ◽  
Acidic Conditions ◽  
Enhanced Selectivity ◽  
Oxygen Atoms

The IDA–RE3+ complexation of RE3+ on the surface of a hybrid silica adsorbent occurs under neutral or weakly acidic conditions apparently not via chelation but via the concerted action of the negatively charged carboxylate oxygen atoms, opening the possibility for enhanced selectivity.

Selten-Erd-Mandelate. Synthese und Kristallstrukturen von Pr(Man)3(ManH) und Er(Man)3(H2O)2 / Synthesis and Crystal Structures of Pr(Man)3(ManH) and Er(Man)3(H2O)2

2005 ◽  
Vol 60 (7) ◽  
pp. 753-757 ◽  
Author(s):  
Claudia Bromant ◽  
Wassiliki Nika ◽  
Ingo Pantenburg ◽  
Gerd Meyer
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Mandelic Acid ◽  
Hydroxyl Group ◽  
Water Molecules ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Rare Earth Salts ◽  
Alcoholic Hydroxyl ◽  
Oxygen Atoms

Pr(Man)3(ManH) and Er(Man)3(H2O)2 (ManH = mandelic acid) have been synthesized by slow evaporation of aqueous solutions of rare-earth salts (Pr(OH)3, ErCl3 · 6H2O) with mandelic acid (α-hydroxy-phenyl acetic acid, C8H8O3) and their crystal structures were determined on the basis of X-ray data. In the crystal structure of Pr(Man)3(ManH) (1) (monoclinic, P21, a = 574.8(1), b = 3042.5(4), c = 908.4(1) pm, β = 92.09(2)°, Z = 2) the Pr(III) ions are surrounded by eight oxygen atoms in a distorted square antiprismatic fashion with distances Pr-O in the range 241 to 254 pm. These polyhedra are connected by coordinative bonds to chains paralleling the crystallographic [100] direction. In Er(Man)3(H2O)2 (2) (orthorhombic, P212121, a = 577.7(3), b = 1816.3(13), c = 2329.4(13) pm, Z = 4) the crystal structure contains isolated complexes with octa-coordinated erbium atoms chelated by three mandelate anions through one of their carboxylate oxygen atoms and the alcoholic hydroxyl group. Two water molecules complete the distorted square antiprismatic coordination sphere.

scholarly journals Synthesis, Crystal Structures, and DNA Binding Properties of Zinc(II) Complexes with 3-Pyridine Aldoxime

2010 ◽  
Vol 2010 ◽  
pp. 1-7 ◽  
Author(s):  
Konstantis F. Konidaris ◽  
Rigini Papi ◽  
Eugenia Katsoulakou ◽  
Catherine P. Raptopoulou ◽  
Dimitrios A. Kyriakidis ◽  
...  
Keyword(s):  
Monoclinic Space Group ◽  
Pyridyl Nitrogen ◽  
Mobility Shift ◽  
Space Group ◽  
Pyramidal Geometry ◽  
Carboxylate Oxygen ◽  
Water Lattice ◽  
Oxygen Atoms

The employment of 3-pyridine aldoxime, (3-py)CHNOH, in ZnIIchemistry has afforded two novel compounds: [Zn(acac)2{(3-py)CHNOH}]⋅H2O(1⋅H2O) [where acac-is the pentane-2,4-dionato(-1) ion] and [Zn2(O2CMe)4{(3-py)CHNOH}2] (2). Complex1⋅H2Ocrystallizes in the monoclinic space groupP21/n. The ZnIIion is five-coordinated, surrounded by four oxygen atoms of two acac-moieties and by the pyridyl nitrogen atom of the (3-py)CHNOH ligand. Molecules of1interact with the water lattice molecules forming a 2D hydrogen-bonding network. Complex2crystallizes in the triclinicP-1space group and displays a dinuclear paddle-wheel structure. Each ZnIIexhibits a perfect square pyramidal geometry, with four carboxylate oxygen atoms at the basal plane and the pyridyl nitrogen of one monodentate (3-py)CHNOH ligand at the apex. DNA mobility shift assays were performed for the determination of thein vitroeffect of both complexes on the integrity and the electrophoretic mobility of pDNA.

scholarly journals Crystal structure of a mixed-ligand terbium(III) coordination polymer containing oxalate and formate ligands, having a three-dimensional fcu topology

2016 ◽  
Vol 72 (1) ◽  
pp. 87-91 ◽  
Author(s):  
Chainok Kittipong ◽  
Phailyn Khemthong ◽  
Filip Kielar ◽  
Yan Zhou
Keyword(s):  
Coordination Polymer ◽  
Title Compound ◽  
Room Temperature ◽  
Three Dimensional ◽  
Carboxylate Oxygen ◽  
Carboxylate Groups ◽  
Green Photoluminescence ◽  
Trigonal Prismatic ◽  
Point Symbol ◽  
Oxygen Atoms

The title compound, poly[(μ3-formato)(μ4-oxalato)terbium(III)], [Tb(CHO2)(C2O4)]n, is a three-dimensional coordination polymer, and is isotypic with the LaIII, CeIIIand SmIIIanalogues. The asymmetric unit contains one TbIIIion, one formate anion (CHO2−) and half of an oxalate anion (C2O42−), the latter being completed by application of inversion symmetry. The TbIIIion is nine-coordinated in a distorted tricapped trigonal–prismatic manner by two chelating carboxylate groups from two C2O42−ligands, two carboxylate oxygen atoms from another two C2O42−ligands and three oxygen atoms from three CHO2−ligands, with the Tb—O bond lengths and the O—Tb—O bond angles ranging from 2.4165 (19) to 2.478 (3) Å and 64.53 (6) to 144.49 (4)°, respectively. The CHO2−and C2O42−anions adoptμ3-bridging andμ4-chelating-bridging coordination modes, respectively, linking adjacent TbIIIions into a three-dimensional 12-connected fcu topology with point symbol (324.436.56). The title compound exhibits thermal stability up to 623 K, and also displays strong green photoluminescence in the solid state at room temperature.

A solid-state 17O NMR study of platinum-carboxylate complexes: carboplatin and oxaliplatin

2015 ◽  
Vol 93 (9) ◽  
pp. 945-953 ◽  
Author(s):  
Xianqi Kong ◽  
Victor Terskikh ◽  
Abouzar Toubaei ◽  
Gang Wu
Keyword(s):  
Solid State ◽  
Chemical Shifts ◽  
Lone Pair ◽  
Carboxylate Oxygen ◽  
Carboxylate Groups ◽  
Nmr Study ◽  
Nmr Characterization ◽  
Orbital Electron ◽  
Isotropic Chemical Shifts ◽  
Oxygen Atoms

We report synthesis and solid-state NMR characterization of two 17O-labeled platinum anticancer drugs: cis-diammine(1,1-cyclobutane-[17O4]dicarboxylato)platinum(II) (carboplatin) and ([17O4]oxalato)[(1R, 2R)-(−)-1,2-cyclohexanediamine)]platinum(II) (oxaliplatin). Both 17O chemical shift (CS) and quadrupolar coupling (QC) tensors were measured for the carboxylate groups in these two compounds. With the aid of plane wave DFT computations, the 17O CS and QC tensor orientations were determined in the molecular frame of reference. Significant changes in the 17O CS and QC tensors were observed for the carboxylate oxygen atom upon its coordination to Pt(II). In particular, the 17O isotropic chemical shifts for the oxygen atoms directly bonded to Pt(II) are found to be smaller (more shielded) by 200 ppm than those for the non-Pt-coordinated oxygen atoms within the same carboxylate group. Examination of the 17O CS tensor components reveals that such a large 17O coordination shift is primarily due to the shielding increase along the direction that is within the O=C–O–Pt plane and perpendicular to the O–Pt bond. This result is interpreted as due to the σ donation from the oxygen nonbonding orbital (electron lone pair) to the Pt(II) empty dyz orbital, which results in large energy gaps between σ(Pt–O) and unoccupied molecular orbitals, thus reducing the paramagnetic shielding contribution along the direction perpendicular to the O–Pt bond. We found that the 17O QC tensor of the carboxylate oxygen is also sensitive to Pt(II) coordination, and that 17O CS and QC tensors provide complementary information about the O–Pt bonding.

Enhanced adsorption and separation of Re(VII) using organic-inorganic hybrid silica adsorbent

2021 ◽  
pp. 110996
Author(s):  
Weijun Shan ◽  
Yingying Zhang ◽  
Yanning Shu ◽  
Danyang Zhang ◽  
Changyu Xing ◽  
...  
Keyword(s):  
Inorganic Hybrid ◽  
Hybrid Silica ◽  
Silica Adsorbent ◽  
Enhanced Adsorption

{Co(H2O)2[C6(COO)6]}n4n— — Ein neuartiges kettenförmiges Polyanion in Co3[C6(COO)6]·18H2O (Tricobalt(II)mellitat Octadecahydrat) / {Co(H2O)2[C6(COO)6]}n4n— – A Novel Chain-Like Polyanion in Co3[C6(COO)6]·18 H2O (Tricobalt(II) Mellitate Octadeca Hydrate)

1991 ◽  
Vol 46 (9) ◽  
pp. 1188-1192 ◽  
Author(s):  
Christian Robl ◽  
Stephanie Hentschel
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Ligand Exchange ◽  
Negative Charge ◽  
Water Molecules ◽  
Carboxylate Oxygen ◽  
Deep Blue ◽  
Carboxylate Groups ◽  
Excess Negative Charge ◽  
Oxygen Atoms

Red orthorhombic single crystals of Co3[C6(COO)6]·18 H2O were grown in aqueous silica gel (space group Pbca, a = 852.7(2), b = 2015.6(3), c = 1712.3(3) pm, 269 parameters, 2675 reflections, Rg = 0.0217). The Co2+ ions are coordinated octahedrally by water molecules and oxygen atoms of carboxylate groups. Co(1) is bound to five water molecules and one carboxylate oxygen atom, Co(2) is situated on a crystallographic center of symmetry and coordinated by four carboxylate oxygen atoms and two water molecules. Folded chains extending parallel to [100] made up by Co(2) and mellitate hexaanions with composition {Co(H2O)2[C6(COO)6]}n4n— are the main feature of the crystal structure. The excess negative charge is compensated for by Co(1) cations bound to these chains via carboxylate groups related by a center of symmetry. Hydrogen bonds connect neighbouring chains primarily with carboxylate oxygen atoms which are not bound to Co2+ as the proton acceptors. Endothermic loss of water was observed to commence at 120 °C, followed (in air) by a further exothermic two step decomposition at 370 and 450 °C to yield Co3O4 as a crystalline residue. With (CH3)2SO a topotactical ligand exchange occurs without destruction of the single crystals causing the colour of the compound to change to deep-blue.

scholarly journals M2(H2O)[μ10-C6H2(COO)4] (M = Ba2+, Pb2+) – Two Isotypic Three- Dimensional Coordination Polymers with a Layer-like Separation between Anions and Cations

2019 ◽  
Author(s):  
Roberto Köferstein
Keyword(s):  
Water Molecule ◽  
Single Crystals ◽  
Silica Gel ◽  
Coordination Polymers ◽  
Coordination Mode ◽  
Three Dimensional ◽  
Carboxylate Oxygen ◽  
Tricapped Trigonal Prism ◽  
Anions And Cations ◽  
Oxygen Atoms

Monoclinic single crystals of Ba2(H2O)[μ10-C6H2(COO)4] (1) and Pb2(H2O)[μ10-C6H2(COO)4] (2) were obtained using the silica gel method [space group C2/c (no. 15), Z = 4;1: a = 780.89(4), b = 1756.19(8), c = 914.80(5) pm, β = 114.512(5)°; 2: a = 756.70(10), b = 1772.8(2), c = 890.2(2) pm, β = 113.590(10)°]. There are two crystallographicallyindependent M2+ ions (M = Ba, Pb). M(1) is surrounded by eight carboxylate oxygen atoms and one water molecule forming a tricapped trigonal prism. M(2) is coordinated by ten carboxylate oxygen atoms in the shape of a tetracapped octahedron. The connection between the M(1) and M(2) polyhedra leads to infinite layers parallel to (010), which are linked by [C6H2(COO)4]4–anions to form a three-dimensional framework. The [C6H2(COO)4]4– anionadopts a μ10 coordination mode. Compound 1 reveals short Ba–Ba contacts of 426.46(2) pm, whereas the Pb–Pb distance of 411.01(6) pm in 2 is larger than twice the van der Waalsradius.

scholarly journals 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)

IUCrData ◽  
2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Ramalingam Sangeetha ◽  
Kasthuri Balasubramani ◽  
Kaliyaperumal Thanigaimani ◽  
Ibrahim Abdul Razak
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Amino Group ◽  
Asymmetric Unit ◽  
Axis Direction ◽  
Carboxylate Oxygen ◽  
Molecular Salt ◽  
Ring Motif ◽  
Oxygen Atoms ◽  
Hydrogen Bonded

In the title molecular salt, C5H9N4+·C13H10NO2−·C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atomsviaa pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric six-membered units, enclosingR22(8) andR34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up theb-axis direction.

scholarly journals Heterobimetallic One-Dimensional Coordination Polymers MICuII (M = Li and K) Based on Ferromagnetically Coupled Di- and Tetracopper(II) Metallacyclophanes

2018 ◽  
Vol 4 (3) ◽  
pp. 38 ◽  
Author(s):  
Tamyris T. da Cunha ◽  
Willian X. C. Oliveira ◽  
Emerson F. Pedroso ◽  
Francesc Lloret ◽  
Miguel Julve ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Coordination Polymers ◽  
Complex Anion ◽  
Spin Hamiltonian ◽  
One Dimensional ◽  
Carboxylate Oxygen ◽  
Out Of Plane ◽  
Ferromagnetic Interactions ◽  
Oxygen Atoms

The synthesis, crystal structure and magnetic properties of the coordination polymers of formula [EDAP{Li6(H2O)8[(Cu2(μ-mpba)2)2(H2O)2]}]n (1) and [(EDAP)2{K(H2O)4[Cu2(μ-mpba)2(H2O)2]}Cl·2H2O]n (2), in which mpba = N,N′-1,3-phenylenebis(oxamate) and EDAP2+ = 1,1′-ethylenebis(4-aminopyridinium) are described. Both compounds have in common the presence of the [Cu2(mpba)2]4− tetraanionic unit which is a [3,3] metallacyclophane motif in which the copper(II) ions are five-coordinate in a distorted square pyramidal surrounding. The complex anion in 1 is dimerized through double out-of-plane copper to outer carboxylate-oxygen atoms resulting in the centrosymmetric tetracopper(II) fragment [Cu4(μ-mpba)4(H2O)2]8− which act as a ligand toward six hydrated lithium(I) cations leading to anionic ladder-like double chains whose charge is neutralized by the EDAP2+ cations. In the case of 2, each dicopper(II) entity acts as a ligand towards tetraquapotassium(I) units to afford anionic zig zag single chains of formula {K(H2O)4[Cu2(μ-mpba)2(H2O)2]}n3n− plus EDAP2+ cations and non-coordinate chloride anions. Cryomagnetic measurements on polycrystalline samples 1 and 2 show the occurrence of ferromagnetic interactions between the copper(II) ions across the –Namidate–(C–C–C)phenyl–Namidate– exchange pathway [J = +10.6 (1) and +8.22 cm−1 (2)] and antiferromagnetic ones through the double out-of-plane carboxylate-oxygen atoms [j = −0.68 cm−1 (1), the spin Hamiltonian being defined as H = − J ( S C u 1 · S C u 2 + S C u 2 i · S C u 1 i ) − j ( S C u 2 · S C u 2 i ) ].

scholarly journals Hydrogen bonded homodimetallic compounds of the formula [M(H2O)5M(dipic)2]·2H2O, M = CoII or NiII and dipic = dipicolinate anion

2017 ◽  
Vol 10 (2) ◽  
pp. 132-138 ◽  
Author(s):  
Petra Masárová ◽  
Jan Moncol
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Polymeric Networks ◽  
Solvent Molecules ◽  
Oxygen Atoms

AbstractTwo homodimetallic dipicolinate compounds of the formulae [Co(H2O)5Co(dipic)2]·2H2O (1) and [Ni(H2O)5Ni(dipic)2]·2H2O (2) have been synthesized and their crystal structures have been determined by single-crystal X-ray diffraction analysis. The prepared isostructural compounds consist of cationic {MO5O’}2+and anionic {MN2O4}2-moieties, where CoII/CoIIor NiII/NiIImetal centers are connected together by bridging μ-carboxylate oxygen atoms from dipicolinate anions. H-bond interactions involving aqua ligands, dipicolinate oxygens and lattice solvent molecules stabilize the dimeric units by linking them into 3-D polymeric networks.

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