Supramolecular Structures Constructed by Connection of One-Dimensional Polymer Chains Through the Dimeric Water Clusters in Coordination Polymers of Pyromellitate Ligand

The isotypic title one-dimensional coordination polymers, [CdCl2(C18H14N4O4)]n, (I), and [HgCl2(C18H14N4O4)]n, (II), are, respectively, the cadmium(II) and mercury(II) complexes of the dimethyl ester of 5,6-bis(pyridin-2-yl)pyrazine-2,3-dicarboxylic acid. In both compounds, the metal ions are located on a twofold rotation axis and a second such axis bisects the Car—Carbonds of the pyrazine ring. The metal ions are bridged by binding to the N atoms of the two pyridine rings and have anMN2Cl2bisphenoidal coordination geometry. The metal–Npyrazinedistances are much longer than the metal–Npyridinedistances; the difference is 0.389 (2) Å for the Cd—N bonds but only 0.286 (5) Å for the Hg—N bond lengths. In the crystals of both compounds, the polymer chains are linkedviapairs of C—H...Cl hydrogen bonds, forming corrugated slabs parallel to theacplane.

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One-dimensional CuIIcoordination polymers containingC2h-symmetric 1,1′:4′,1′′-terphenyl-3,3′-dicarboxylate linkers

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s2053229615017088 ◽

2015 ◽

Vol 71 (10) ◽

pp. 929-935 ◽

Cited By ~ 3

Author(s):

Hyun-Chul Kim ◽

Ja-Min Gu ◽

Seong Huh ◽

Chul-Hyun Yo ◽

Youngmee Kim

Keyword(s):

Coordination Polymers ◽

Three Dimensional ◽

Polymer Chains ◽

Water Molecules ◽

Binding Modes ◽

Bridging Ligands ◽

One Dimensional ◽

X Ray Crystallography ◽

Dimensional Network ◽

The One

Two new one-dimensional CuIIcoordination polymers (CPs) containing theC2h-symmetric terphenyl-based dicarboxylate linker 1,1′:4′,1′′-terphenyl-3,3′-dicarboxylate (3,3′-TPDC), namelycatena-poly[[bis(dimethylamine-κN)copper(II)]-μ-1,1′:4′,1′′-terphenyl-3,3′-dicarboxylato-κ4O,O′:O′′:O′′′] monohydrate], {[Cu(C20H12O4)(C2H7N)2]·H2O}n, (I), andcatena-poly[[aquabis(dimethylamine-κN)copper(II)]-μ-1,1′:4′,1′′-terphenyl-3,3′-dicarboxylato-κ2O3:O3′] monohydrate], {[Cu(C20H12O4)(C2H7N)2(H2O)]·H2O}n, (II), were both obtained from two different methods of preparation: one reaction was performed in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) as a potential pillar ligand and the other was carried out in the absence of the DABCO pillar. Both reactions afforded crystals of different colours,i.e.violet plates for (I) and blue needles for (II), both of which were analysed by X-ray crystallography. The 3,3′-TPDC bridging ligands coordinate the CuIIions in asymmetric chelating modes in (I) and in monodenate binding modes in (II), forming one-dimensional chains in each case. Both coordination polymers contain two coordinated dimethylamine ligands in mutuallytranspositions, and there is an additional aqua ligand in (II). The solvent water molecules are involved in hydrogen bonds between the one-dimensional coordination polymer chains, forming a two-dimensional network in (I) and a three-dimensional network in (II).

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Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers

IUCrJ ◽

10.1107/s2052252515000147 ◽

2015 ◽

Vol 2 (2) ◽

pp. 188-197 ◽

Cited By ~ 6

Author(s):

James S. Wright ◽

Iñigo J. Vitórica-Yrezábal ◽

Harry Adams ◽

Stephen P. Thompson ◽

Adrian H. Hill ◽

...

Keyword(s):

Coordination Polymers ◽

Thermal Analyses ◽

Polymer Chains ◽

X Ray Diffraction ◽

One Dimensional ◽

Solvent Vapour ◽

Templating Effect ◽

Sole Product

A family of one-dimensional coordination polymers, [Ag4(O2C(CF2)2CF3)4(phenazine)2(arene)n]·m(arene),1(arene = toluene or xylene), have been synthesized and crystallographically characterized. Arene guest loss invokes structural transformations to yield a pair of polymorphic coordination polymers [Ag4(O2C(CF2)2CF3)4(phenazine)2],2aand/or2b, with one- and two-dimensional architectures, respectively. The role of pre-organization of the polymer chains of1in the selectivity for formation of either polymorph is explored, and the templating effect of toluene andp-xylene overo-xylene orm-xylene in the formation of arene-containing architecture1is also demonstrated. The formation of arene-free phase2b, not accessible in a phase-pure form through other means, is shown to be the sole product of loss of toluene from1-tol·tol[Ag4(O2C(CF2)2CF3)4(phenazine)2(toluene)]·2(toluene), a phase containing toluene coordinated to Ag(I) in an unusual μ:η1,η1manner. Solvent-vapour-assisted conversion between the polymorphic coordination polymers and solvent-vapour influence on the conversion of coordination polymers1to2aand2bis also explored. The transformations have been examined and confirmed by X-ray diffraction, NMR spectroscopy and thermal analyses, includingin situdiffraction studies of some transformations.

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Chalcogen S∙∙∙S Bonding in Supramolecular Assemblies of Cadmium(II) Coordination Polymers with Pyridine-Based Ligands

Crystals ◽

10.3390/cryst11060697 ◽

2021 ◽

Vol 11 (6) ◽

pp. 697

Author(s):

Nives Matijaković Mlinarić ◽

Nikolina Penić ◽

Boris-Marko Kukovec ◽

Marijana Đaković

Keyword(s):

Hydrogen Bonds ◽

Nicotinic Acid ◽

Coordination Polymers ◽

Acid Hydrazide ◽

Polymer Chains ◽

Supramolecular Interactions ◽

Two Dimensional ◽

Coordination Networks ◽

One Dimensional ◽

Polymeric Chains

Two cadmium(II) coordination polymers, with thiocyanate and pyridine-based ligands e.g., 3-acetamidopyridine (3-Acpy) and niazid (nicotinic acid hydrazide, nia), namely one-dimensional {[Cd(SCN)2(3-Acpy)]}n (1) and two-dimensional {[Cd(SCN)2(nia)]}n (2), are prepared in the mixture of water and ethanol. The adjacent cadmium(II) ions in 1 are bridged by two N,S-thiocyanate ions and an N,O-bridging 3-Acpy molecule, forming infinite one-dimensional polymeric chains, which are assembled by the intermolecular N–H∙∙∙S hydrogen bonds in one direction and by the intermolecular S∙∙∙S chalcogen bonds in another direction. Within the coordination network of 2, the adjacent cadmium(II) ions are bridged by N,S-thiocyanate ions in one direction and by N,O,N’-chelating and bridging nia molecules in another direction. The coordination networks of 2 are assembled by the intermolecular N–H∙∙∙S and N–H∙∙∙N hydrogen bonds and S∙∙∙S chalcogen bonds. Being the only supramolecular interactions responsible for assembling the polymer chains of 1 in the particular direction, the chalcogen S∙∙∙S bonds are more significant in the structure of 1, whilst the chalcogen S∙∙∙S bonds which act in cooperation with the N–H∙∙∙S and N–H∙∙∙N hydrogen bonds are of less significance in the structure of 2.

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Anion and solvent controlled growth of crystalline and amorphous zinc(II) coordination polymers and a molecular complex

Dalton Transactions ◽

10.1039/d0dt04190d ◽

2021 ◽

Author(s):

Claire Deville ◽

Henrik Særkjær Jeppesen ◽

Vickie McKee ◽

Nina Lock

Keyword(s):

Coordination Polymers ◽

Molecular Complex ◽

Research Field ◽

Metal Coordination ◽

Controlled Growth ◽

Bottom Up ◽

One Dimensional

Controlled bottom-up synthesis of amorphous coordination polymers with tailored metal coordination is a research field in its infancy. In this study, synthesis control was achieved to selectively prepare one-dimensional (1D)...

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On-Surface Synthesis of One-Dimensional Coordination Polymers with Tailored Magnetic Anisotropy

ACS Applied Materials & Interfaces ◽

10.1021/acsami.1c04693 ◽

2021 ◽

Author(s):

Benjamin Mallada ◽

Piotr Błoński ◽

Rostislav Langer ◽

Pavel Jelínek ◽

Michal Otyepka ◽

...

Keyword(s):

Magnetic Anisotropy ◽

Coordination Polymers ◽

One Dimensional

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Isomeric 4,2′:6′,4″- and 3,2′:6′,3″-Terpyridines with Isomeric 4′-Trifluoromethylphenyl Substituents: Effects on the Assembly of Coordination Polymers with [Cu(hfacac)2] (Hhfacac = Hexafluoropentane-2,4-dione)

Inorganics ◽

10.3390/inorganics9070054 ◽

2021 ◽

Vol 9 (7) ◽

pp. 54

Author(s):

Giacomo Manfroni ◽

Simona S. Capomolla ◽

Alessandro Prescimone ◽

Edwin C. Constable ◽

Catherine E. Housecroft

Keyword(s):

Coordination Polymers ◽

Metal Binding ◽

Polymer Chains ◽

Stacking Interactions ◽

X Ray Diffraction ◽

Preparative Scale ◽

X Ray ◽

Single Crystal Structures ◽

Π Stacking ◽

Packing Interactions

The isomers 4′-(4-(trifluoromethyl)phenyl)-4,2′:6′,4″-terpyridine (1), 4′-(3-(trifluoromethyl)phenyl)-4,2′:6′,4″-terpyridine (2), 4′-(4-(trifluoromethyl)phenyl)-3,2′:6′,3″-terpyridine (3), and 4′-(3-(trifluoromethyl)phenyl)-3,2′:6′,3″-terpyridine (4) have been prepared and characterized. The single crystal structures of 1 and 2 were determined. The 1D-polymers [Cu2(hfacac)4(1)2]n.2nC6H4Cl2 (Hhfacac = 1,1,1,5,5,5-hexafluoropentane-2,4-dione), [Cu(hfacac)2(2)]n.2nC6H5Me, [Cu2(hfacac)4(3)2]n.nC6H4Cl2, [Cu2(hfacac)4(3)2]n.nC6H5Cl, and [Cu(hfacac)2(4)]n.nC6H5Cl have been formed by reactions of 1, 2, 3 and 4 with [Cu(hfacac)2].H2O under conditions of crystal growth by layering and four of these coordination polymers have been formed on a preparative scale. [Cu2(hfacac)4(1)2]n.2nC6H4Cl2 and [Cu(hfacac)2(2)]n.2nC6H5Me are zig-zag chains and the different substitution position of the CF3 group in 1 and 2 does not affect this motif. Packing of the polymer chains is governed mainly by C–F...F–C contacts, and there are no inter-polymer π-stacking interactions. The conformation of the 3,2′:6′,3″-tpy unit in [Cu2(hfacac)4(3)2]n.nC6H4Cl2 and [Cu(hfacac)2(4)]n.nC6H5Cl differs, leading to different structural motifs in the 1D-polymer backbones. In [Cu(hfacac)2(4)]n.nC6H5Cl, the peripheral 3-CF3C6H4 unit is accommodated in a pocket between two {Cu(hfacac)2} units and engages in four C–Hphenyl...F–Chfacac contacts which lock the phenylpyridine unit in a near planar conformation. In [Cu2(hfacac)4(3)2]n.nC6H4Cl2 and [Cu(hfacac)2(4)]n.nC6H5Cl, π-stacking interactions between 4′-trifluoromethylphenyl-3,2′:6′,3″-tpy domains are key packing interactions, and this contrasts with the packing of polymers incorporating 1 and 2. We use powder X-ray diffraction to demonstrate that the assemblies of the coordination polymers are reproducible, and that a switch from a 4,2′:6′,4″- to 3,2′:6′,3″-tpy metal-binding unit is accompanied by a change from dominant C–F...F–C and C–F...H–C contacts to π-stacking of arene domains between ligands 3 or 4.

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RuSseL: A Self-Consistent Field Theory Code for Inhomogeneous Polymer Interphases

Computation ◽

10.3390/computation9050057 ◽

2021 ◽

Vol 9 (5) ◽

pp. 57

Author(s):

Constantinos J. Revelas ◽

Aristotelis P. Sgouros ◽

Apostolos T. Lakkas ◽

Doros N. Theodorou

Keyword(s):

Field Theory ◽

Polymer Melt ◽

Polymer Chains ◽

Solid Polymer ◽

One Dimensional ◽

Consistent Field ◽

Adsorbed Polymer ◽

Self Consistent ◽

Self Consistent Field ◽

Self Consistent Field Theory

In this article, we publish the one-dimensional version of our in-house code, RuSseL, which has been developed to address polymeric interfaces through Self-Consistent Field calculations. RuSseL can be used for a wide variety of systems in planar and spherical geometries, such as free films, cavities, adsorbed polymer films, polymer-grafted surfaces, and nanoparticles in melt and vacuum phases. The code includes a wide variety of functional potentials for the description of solid–polymer interactions, allowing the user to tune the density profiles and the degree of wetting by the polymer melt. Based on the solution of the Edwards diffusion equation, the equilibrium structural properties and thermodynamics of polymer melts in contact with solid or gas surfaces can be described. We have extended the formulation of Schmid to investigate systems comprising polymer chains, which are chemically grafted on the solid surfaces. We present important details concerning the iterative scheme required to equilibrate the self-consistent field and provide a thorough description of the code. This article will serve as a technical reference for our works addressing one-dimensional polymer interphases with Self-Consistent Field theory. It has been prepared as a guide to anyone who wishes to reproduce our calculations. To this end, we discuss the current possibilities of the code, its performance, and some thoughts for future extensions.

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1D Mn(III) Coordination Polymers Exhibiting Chiral Symmetry Breaking and Weak Ferromagnetism

Dalton Transactions ◽

10.1039/d1dt00569c ◽

2021 ◽

Author(s):

Aoi Hara ◽

Sotaro Kusumoto ◽

Yoshihiro Sekine ◽

Jack Harrowfield ◽

Yang Kim ◽

...

Keyword(s):

Symmetry Breaking ◽

Chiral Symmetry ◽

Coordination Polymers ◽

Chiral Symmetry Breaking ◽

Weak Ferromagnetism ◽

Chiral Ligands ◽

One Dimensional

Mn(III) complexes with the non-chiral ligands, (E)-N-(2-((2-aminobenzylidene)amino)-2-methylpropyl)-5-X-2-hydroxybenzamide (HLX, X = H, Cl, Br, and I), crystallise as chiral conglomerates containing amide oxygen-bridged one-dimensional coordination polymers that exhibit weak ferromagnetism. The...

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