scholarly journals 2D-Coordination polymer containing lead(II) in a hemidirected PbO4S3 environment formed by molecular breaking of the 1,3-oxathiolane ligand

2019 ◽  
Vol 74 (7-8) ◽  
pp. 547-551
Author(s):  
Zahra Mardani ◽  
Samira Akbari ◽  
Keyvan Moeini ◽  
Majid Darroudi ◽  
Cameron Carpenter-Warren ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Thiol Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Anionic Ligand ◽  
Ft Ir ◽  
Complexation Process

AbstractA new 1,3-oxathiolane-based ligand, 2-(1,3-oxathiolan-2-yl)pyridine, was prepared and its coordination to lead(II) was investigated. Experiments revealed a ligand-breaking reaction during the complexation process, which leads to the formation of a 2D-coordination polymer of lead(II), [Pb(μ3-HME)(μ-OAc)]n; H2ME: 2-mercaptoethanol. The compounds have been characterized by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. X-ray analysis revealed a 2D-coordination polymer extending via acetato bridges. The lead(II) center adopts a rare PbO4S3-distorted pentagonal bipyramidal geometry with a hemidirected arrangement. Upon coordination, the thiol group of the H2ME ligand is deprotonated to coordinate as an anionic ligand. The network extends in sheets in the crystallographic ab plane via Pb–S–Pb and Pb–O–Pb bridges, aided by O–H⋯O hydrogen bonds.

scholarly journals An ionic Cd/Hg mixed-metal complex with an aminoalcohol ligand

2018 ◽  
Vol 73 (12) ◽  
pp. 959-963
Author(s):  
Zahra Mardani ◽  
Reza Kazemshoar-Duzduzani ◽  
Keyvan Moeini ◽  
Majid Darroudi ◽  
Cameron Carpenter-Warren ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Metal Complex ◽  
Ionic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Mixed Metal ◽  
H Nmr ◽  
Distorted Octahedral ◽  
Ft Ir

AbstractA cadmium–mercury mixed-metal complex of cis-2-((2-((2-hydroxyethyl)amino)ethyl)amino)cyclohexan-1-ol (HEAC), [Cd(HEAC)2][HgI4] (1), was prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy, and single-crystal X-ray diffraction. The X-ray analysis revealed an ionic structure for 1 in which the cadmium and mercury atoms have CdN4O2 and HgI4 environments, with distorted octahedral and tetrahedral geometries, respectively. The packing of the components in the crystal of 1 is supported by O–H···I hydrogen bonds, and these interactions lead to the formation of an ${\rm{R}}_4^4$(22) motif.

scholarly journals Synthesis, Structure, and Properties of a Dinuclear Cu(II) Coordination Polymer Based on Quinoxaline and 3,3-Thiodipropionic Acid Ligands

2021 ◽  
Author(s):  
Adedibu Clement Tella ◽  
Samson Owalude ◽  
Vincent Adimula ◽  
Adetola Oladipo ◽  
Victoria Olayemi ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Nitrogen Atom ◽  
Coordination Polymer ◽  
Elemental Analysis ◽  
Catalytic Reduction ◽  
Copper Acetate ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr

Abstract The coordination polymer [Cu2(TDPH)4(QNX)].DMF, (QNX = Quinoxaline; TDPH = 3,3-thiodipropionic acid), has been prepared by reaction of copper acetate, TDPH, and quinoxaline. The compound was characterized by elemental analysis, FTIR spectroscopy, and single-crystal X-ray diffraction. The crystal is monoclinic with a P21/n space group and dimensions of a = 12.889(3) Å, b = 14.983(4) Å, c = 14.091(3) Å, α = 90 °, β = 90.200(11) °, γ = 90 °, V = 2721.18 (2) Å3, Z = 4. The ligands are hexagonally coordinated to the Cu(II) centre in the form of Cu2O4N with one nitrogen atom from the quinoxaline ligand, and four oxygen atoms from four TDPH molecules in a monodentate fashion. The Cu-Cu bond length was 2.642(1) and 2.629(1) Å for the Cu1----Cu1 and Cu2----Cu2 bonds. The QNX ligand bridged the two copper atoms. The catalytic reduction of 4-nitrophenol to 4-aminophenol using NaBH4 in the presence of [Cu2(TDPH)4(QNX)].DMF, as catalyst was completed within 11 minutes. The 4-aminophenol product was confirmed using 1H NMR spectroscopy.

Structural, spectral and docking studies of a coordination polymer of zinc(II) formed by a pyridine-derived linker

2018 ◽  
Vol 73 (6) ◽  
pp. 369-375 ◽  
Author(s):  
Farzin Marandi ◽  
Keyvan Moeini ◽  
Fereshteh Alizadeh ◽  
Zahra Mardani ◽  
Ching Kheng Quah ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Docking Studies ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Docking Calculations ◽  
Ft Ir ◽  
Zinc Coordination ◽  
Linear Coordination

AbstractA mixed ligand zinc coordination polymer, {Zn(μ-DPE)(DBM)2}n (1) (HDBM: dibenzoylmethane and DPE: (E)-1,2-di(pyridin-4-yl)ethene), was prepared and identified by elemental analysis, FT-IR, 1H NMR spectroscopy and single-crystal X-ray diffraction. In the 1D linear coordination polymer of 1, the zinc atom has a ZnN2O4 environment with octahedral geometry. These complex units are linked by the bridging of the planar N2 donor DPE ligands. In the coordination network of complex 1, in addition to the hydrogen bonds, the network is more stabilized by π–π stacking interactions between pyridine and β-diketone moieties of the ligands. These interactions increase the ability of the compound to interact with biomacromolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS and Top II) as investigated by docking calculations.

A coordination polymer of mercury(II) formed by triazole-based and chloride linkers

2017 ◽  
Vol 72 (8) ◽  
pp. 573-577 ◽  
Author(s):  
Seyed Ghorban Hosseini ◽  
Keyvan Moeini ◽  
Mohammed S.M. Abdelbaky ◽  
Santiago García-Granda
Keyword(s):  
Coordination Polymer ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Coordination Numbers ◽  
H Nmr ◽  
Square Planar ◽  
Polymeric Chains ◽  
Ft Ir ◽  
Hybrid Coordination

AbstractIn this work, a coordination polymer formed from 4,5-diamino-3-methyl-4H-1,2,4-triazol-1-ium chloride (DAMT·HCl) and HgCl2 formulated as [Hg5(μ-DAMT)2(μ-Cl)6(μ3-Cl)2Cl2]n has been prepared and characterized by elemental analysis, FT-IR, 1H NMR spectroscopy, and single-crystal X-ray diffraction. X-ray analysis of the complex revealed an organic-inorganic hybrid coordination polymer containing three different mercury atoms with coordination numbers of 4 (HgN(μ-Cl)2(μ3-Cl)), 5 (Hg(μ-Cl)3(μ3-Cl)Cl), and 6 (HgN2(μ-Cl)2(μ3-Cl)2) and seesaw, octahedral, and square pyramidal geometries, respectively. The polymeric chains are extended to a three-dimensional (3D) array by C–H···Cl and N–H···Cl interactions. In addition to these hydrogen bonds, there are Hg···Cl interactions with the mercury atoms with coordination numbers 4 and 5 to complete their pseudo-square planar and -octahedral geometries, respectively.

Carbacylamidophosphates: Structure and Properties of Bis(N,N′,-morpholido)-[(N″-morpholido)-carboxamido] phosphate

1999 ◽  
Vol 54 (11) ◽  
pp. 1357-1359 ◽  
Author(s):  
Kateryna E Gubina ◽  
Vladimir A. Ovchynniko ◽  
Vladimir M Amirkhanov ◽  
Tatyana Yu. Sliva ◽  
Viktor V. Skopenko ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Hydrogen Bonds ◽  
Protonation Constant ◽  
Unit Cell ◽  
Potentiometric Studies ◽  
Structure And Properties ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Independent Molecules

The bis(N,N′-morpholido)-[(N″-morpholido)-carboxamido] phosphate: O(CH2CH2 )NC(O )-N(H)P(O)[N(CH2CH2 )O]2 [HL], has been prepared and characterized by means of IR, 31P and 1H NMR spectroscopy and X-ray diffraction (triclinic, a = 9.282(2), b = 9.308(2), c = 21.341(4) Å, α = 80.79(3)°, β = 80.92(3)° γ = 66.92(3)°, V = 1665.1(6) Å3, space group P1̄̄, Z = 4 and R = 0.0423, wR2 = 0.1303 for 6774 unique reflections used). The unit cell consists of two independent molecules connected by hydrogen bonds N-H...O=P into non-symmetric dimers. The compound behaves as a HL molecule with a protonation constant corresponding to the -C(O)N(H)P(O)- group of pK = 8.65 as determined by potentiometric studies.

Synthesis and crystal structures of two new lead(II) complexes with the pincer-type ligand 4′-(4-chlorophenyl)-2,2′:6′,2″-terpyridine (Cl-Ph-tpy): subtle interplay of weak intermolecular interactions

2020 ◽  
Vol 75 (12) ◽  
pp. 1043-1048
Author(s):  
Farzin Marandi ◽  
Harald Krautscheid
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Central Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Weak Intermolecular Interactions ◽  
Binuclear Structure ◽  
Ft Ir

AbstractA dinuclear and a tetranuclear complex of lead(II) with the pincer-type ligand 4′-(4-chlorophenyl)-2,2′:6′,2″-terpyridine (Cl-Ph-tpy), [Pb2(Cl-Ph-tpy)2(μ-I)2I2] (1) and [Pb4(Cl-Ph-tpy)4(μ-Br)4(μ-OH2)Br4]·2CH3OH (2), have been synthesized and characterized by elemental analysis, FT-IR and 1H NMR spectroscopy, and by single-crystal X-ray diffraction. In the binuclear structure of 1, the Pb atom has a hemidirected PbN3I3 environment with a Pb(μ-I)2Pb central unit. In the tetranuclear structure of 2, two crystallographically independent Pb(II) centres having hemidirected PbN3Br3 and PbN3OBr2 environments are connected to Pb(μ-Br)Pb(μ-Br)2(μ-OH2)Pb(μ-Br)Pb chains. The supramolecular features in 1 and 2 are supported through weak but directional C–H···Cl, C–H···I and C–H···Br, C–H···O, O–H···Br, and O···Br interactions and aromatic π-π stacking.

scholarly journals Tautomerisation in 1-(4-Methylphenylazo)naphthalen-2-ol and 2-(4-Methylphenylazo)-4-methylphenol: A Crystallographic and 13C{1H}NMR Study

1999 ◽  
Vol 23 (3) ◽  
pp. 178-179
Author(s):  
Wendy I. Cross ◽  
Kevin R. Flower ◽  
Robin G. Pritchard
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Resonant Frequency ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Nmr Study ◽  
Acetic Acid Esters ◽  
Acid Esters ◽  
Equivalent Carbon

The acetic acid esters of 1-(4-methylphenylazo)naphthalen-2-ol 1 and 2-(4-methylphenylazo)-4-methylphenol 3 are prepared and characterised by single crystal X-ray diffraction studies and 13C{1H}NMR spectroscopy; the position of the C(2)13C resonance for the ester is used to predict the position of resonant frequency of the equivalent carbon in the parent alcohols and hence, calculate the position of the azo-hydrazone equilibrium in these compounds.

Liquid crystalline polyureas with oligo(ethylene glycol) sequences

e-Polymers ◽  
2010 ◽  
Vol 10 (1) ◽  
Author(s):  
Shahram Mehdipour-Ataei ◽  
Leila Akbarian-Feizi
Keyword(s):  
Liquid Crystalline ◽  
Spectroscopic Method ◽  
Polymerization Reaction ◽  
X Ray Diffraction ◽  
Subsequent Reaction ◽  
Scanning Calorimetry ◽  
Polar Solvents ◽  
X Ray ◽  
H Nmr ◽  
Ft Ir

AbstractA diamine monomer containing ester, amide and ether functional groups was prepared and its polymerization reaction with different diisocyanates to give main chain poly(ester amide ether urea)s was investigated. The monomer was synthesized via reaction of terephthaloyl chloride with 4-hydroxybenzoic acid and subsequent reaction of the resulted diacid with 1,8-diamino-3,6-dioxaoctane. The polymers were characterized by FT-IR and 1H-NMR spectroscopic method and elemental analysis. The resulting polymers exhibited excellent solubility in polar solvents. Crystallinity of the resulted polymers was evaluated by wide-angle X-ray diffraction (WXRD) method, and they exhibited semi-crystalline patterns. The glass transition temperatures (Tg) of the polymers determined by differential scanning calorimetry (DSC) and dynamic mechanical thermal analysis (DMTA) were in the range of 88-112 °C. The temperatures for 10% weight loss (T10) from their thermogravimetric analysis (TGA) curves were found to be in the range of 297-312 °C in air. Also the prepared polyureas showed liquid crystalline character.

Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand

2018 ◽  
Vol 74 (3) ◽  
pp. 366-371 ◽  
Author(s):  
Wen Cui ◽  
Ruyu Wang ◽  
Xi Shu ◽  
Yu Fan ◽  
Yang Liu ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrothermal Reaction ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Uranyl Compounds ◽  
X Ray ◽  
Potential Applications ◽  
Ft Ir ◽  
Fuel Reprocessing ◽  
Ft Ir Spectroscopy

The interaction between the uranyl cation, (UO2)2+, and organic species is of interest due to the potential applications of the resulting compounds with regard to nuclear waste disposal and nuclear fuel reprocessing. The hydrothermal reaction of various uranyl compounds with flexible zwitterionic 1,1′-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate) dihydrochloride (Bpmb·2HCl) in deionized water containing drops of H2SO4resulted in the formation of a novel two-dimensional uranyl coordination polymer, namely poly[tetraoxido{μ2-1,1′-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ3-sulfato-diuranium(VI)], [(UO2)2(SO4)2(C20H16N2O4)]n, (1). Single-crystal X-ray diffraction reveals that this coordination polymer exhibits a layered arrangement and the (UO2)2+centre is coordinated by five equatorial O atoms. The structure was further characterized by FT–IR spectroscopy, powder X-ray diffraction (PXRD) and thermogravimetric analysis (TGA). The polymer shows high thermal stability up to 696 K. Furthermore, the photoluminescence properties of (1) has also been studied, showing it to exhibit a typical uranyl fluorescence.

Microwave-assisted solvent-free synthesis and spectral and structural characterization of cyclotriphosphazene hexakis(o-tolylamide)

2018 ◽  
Vol 73 (12) ◽  
pp. 999-1003 ◽  
Author(s):  
Mohammad Hakimi ◽  
Homeyra Rezaei ◽  
Keyvan Moeini ◽  
Heidar Raissi ◽  
Vaclav Eigner ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Microwave Irradiation ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Aromatic Rings ◽  
X Ray ◽  
Microwave Assisted ◽  
Ft Ir ◽  
Solvent Free Synthesis

AbstractA new cyclotriphosphazene, 2,2,4,4,6,6-hexakis (o-tolylamono)-1,3,5,2λ5,4λ5,6λ5-triazatriphosphinine (MPAP), was prepared using microwave irradiation and identified by elemental analysis, FT-IR, Raman, 31P NMR spectroscopy, and single-crystal X-ray diffraction. In the crystal, in addition to hydrogen bonds, the network is further stabilized by inter- and intramolecular π–π stacking interactions between aromatic rings.

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