Tuning the formation of dicarboxylate linker-assisted supramolecular 1D chains and squares of Ni(ii) using coordination and hydrogen bonds

CrystEngComm ◽  
2014 ◽  
Vol 16 (25) ◽  
pp. 5705-5715 ◽  
Author(s):  
Sadhika Khullar ◽  
Vijay Gupta ◽  
Sanjay K. Mandal
Keyword(s):  
Hydrogen Bonding ◽  
Higher Dimensions ◽  
Coordination Networks ◽  
Reaction Conditions ◽  
Lattice Water ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Hydrogen Bonding Networks ◽  
Coordinated Water ◽  
1D Chains

Diverse metal organic coordination networks generated under the same reaction conditions are reported. Further association of these with hydrogen bonding networks of lattice water, coordinated water and uncoordinated oxygen atoms of the carboxylate groups generate supramolecular assemblies of higher dimensions.

Competition between coordination bonds and hydrogen bonding interactions in solvatomorphs of copper(II), cadmium(II) and cobalt(II) complexes with 2,2′-bipyridyl and acetate

2019 ◽  
Vol 234 (2) ◽  
pp. 119-128 ◽  
Author(s):  
José Antônio do Nascimento Neto ◽  
Cameron Capeletti da Silva ◽  
Leandro Ribeiro ◽  
Ana Karoline Silva Mendanha Valdo ◽  
Felipe Terra Martins
Keyword(s):  
Hydrogen Bonding ◽  
Dft Calculations ◽  
Organic Molecules ◽  
Energy Difference ◽  
Water Molecules ◽  
Coordination Numbers ◽  
Lattice Water ◽  
Hydrogen Bonding Interactions ◽  
Metal Organic ◽  
Coordination Bonds

Abstract The delicate balance among conformation, coordination bonds and hydrogen bonding has been probed in solvatomorphs of known metal-organic molecules synthesised from copper(II), cadmium(II) and cobalt(II) with acetate (OAc) and 2,2′-bipyridine (bipy). The Cu(OAc)2(bipy) complex, isolated as a pentahydrate, has the acetate ligands oriented to opposite sides of the coordination square plane. DFT calculations show the energy difference between this structure and a syn form amount to approximately 16 kJ/mol. The presence of lattice water enables the formation of O–H···O hydrogen bonds with the acetate ligands. Different coordination numbers and energies are found as a function of the number of water molecules co-crystallising in the Cd(OAc)2(bipy)(OH2)·3H2O and [Co(OAc)(bipy)2](OAc)·3H2O complexes.

A one-dimensional coordination polymer based on Cd2O2clusters: poly[aqua(μ3-4,4′-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)cadmium(II)]

2013 ◽  
Vol 69 (3) ◽  
pp. 244-246 ◽  
Author(s):  
Jian-Qing Tao
Keyword(s):  
Water Molecule ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Chain Polymer ◽  
One Dimensional ◽  
X Ray ◽  
Acid Ligand ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Coordinated Water

In the title mixed-ligand metal–organic polymeric complex [Cd(C14H8O6S)(C16H16N2)(H2O)]n, the asymmetric unit contains a crystallographically unique CdIIatom, one doubly deprotonated 4,4′-sulfonyldibenzoic acid ligand (H2SDBA), one 3,4,7,8-tetramethyl-1,10-phenanthroline (TMPHEN) molecule and one water molecule. Each CdIIcentre is coordinated by two N atoms from the chelating TMPHEN ligand, three O atoms from monodentate carboxylate groups of three different SDBA2−ligands and one O atom from a coordinated water molecule, giving a distorted CdN2O4octahedral geometry. Single-crystal X-ray diffraction analysis reveals that the compound is a one-dimensional double-chain polymer containing 28-membered rings based on Cd2O2clusters, with a Cd...Cd separation of 3.6889 (4) Å. These chains are linked by O—H...O and C—H...O hydrogen bonds to form a three-dimensional supramolecular framework. The framework is reinforced by π–π and C—O...π interactions.

Piecewise 3D Printing of Crystallographic Data for Post-Printing Construction

2019 ◽  
Author(s):  
Matthew Brown ◽  
David Hartling ◽  
Hamel N. Tailor ◽  
Ken Van Wieren ◽  
Gary Houghton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
3D Printing ◽  
Small Molecules ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Crystallographic Data ◽  
Metal Organic ◽  
Hydrogen Bonding Networks ◽  
Time Reduction ◽  
Size Limits

A method of 3D printing complex or challenging structures by breaking them into parts with connectors, printing each part separately, and then assembling the structure post-printing has been developed. This has advantages such as multicoloured printing, framework optimization and reduction, print time reduction, and can be used to bypass print tray size limits. This method is particularly applicable to extended structures such as coordination polymers, metal-organic frameworks, and hydrogen bonding networks, but examples where it can be used to simplify the printing of small molecules are also shown.

Conformational isomerism involving carboxylate groups of a linker in metal organic frameworks and its distinctive influence on the detection of ketones

2021 ◽  
Author(s):  
Sandeep Kumar ◽  
Himanshi Bhambri ◽  
Sanjay Mandal
Keyword(s):  
Room Temperature ◽  
Metal Organic Frameworks ◽  
Product Formation ◽  
Conformational Isomerism ◽  
Reaction Conditions ◽  
Carboxylate Groups ◽  
Metal Organic ◽  
Influence Of Solvent

In this work, the influence of solvent and reaction conditions (solvothermal vs room temperature) on the product formation is analyzed with two Zn(II) MOFs, {[Zn(bpaipa)]·DMF·2H2O}n (1) and {[Zn(bpaipa)]·5H2O}n (2), where...

scholarly journals Influence of noncovalent interactions on the structures of metal–organic hybrids based on a [VO2(2,6-pydc)]− tecton with cations of imidazole, pyridine and its derivatives

2015 ◽  
Vol 39 (6) ◽  
pp. 4265-4277 ◽  
Author(s):  
Tanja Koleša-Dobravc ◽  
Anton Meden ◽  
Franc Perdih
Keyword(s):  
Hydrogen Bonding ◽  
Noncovalent Interactions ◽  
Metal Organic ◽  
Hydrogen Bonding Networks ◽  
2D And 3D

Hydrogen-bonding has a profound effect on topologies, and various 1D (band, pillar or chain), 2D and 3D hydrogen bonding networks have been observed.

scholarly journals Piecewise 3D Printing of Crystallographic Data for Post-Printing Construction

2019 ◽  
Author(s):  
Matthew Brown ◽  
David Hartling ◽  
Hamel N. Tailor ◽  
Ken Van Wieren ◽  
Gary Houghton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
3D Printing ◽  
Small Molecules ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Crystallographic Data ◽  
Metal Organic ◽  
Hydrogen Bonding Networks ◽  
Time Reduction ◽  
Size Limits

A method of 3D printing complex or challenging structures by breaking them into parts with connectors, printing each part separately, and then assembling the structure post-printing has been developed. This has advantages such as multicoloured printing, framework optimization and reduction, print time reduction, and can be used to bypass print tray size limits. This method is particularly applicable to extended structures such as coordination polymers, metal-organic frameworks, and hydrogen bonding networks, but examples where it can be used to simplify the printing of small molecules are also shown.

Piecewise 3D Printing of Crystallographic Data for Post-Printing Construction

2019 ◽  
Author(s):  
Matthew Brown ◽  
David Hartling ◽  
Hamel N. Tailor ◽  
Ken Van Wieren ◽  
Gary Houghton ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
3D Printing ◽  
Small Molecules ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Crystallographic Data ◽  
Metal Organic ◽  
Hydrogen Bonding Networks ◽  
Time Reduction ◽  
Size Limits

A method of 3D printing complex or challenging structures by breaking them into parts with connectors, printing each part separately, and then assembling the structure post-printing has been developed. This has advantages such as multicoloured printing, framework optimization and reduction, print time reduction, and can be used to bypass print tray size limits. This method is particularly applicable to extended structures such as coordination polymers, metal-organic frameworks, and hydrogen bonding networks, but examples where it can be used to simplify the printing of small molecules are also shown.

scholarly journals Poly[[diaquabis[μ4-5-nitroisophthalato-κ4O1:O1:O3:O3′]bis[μ3-pyridine-4-carboxylato-κ3O:O′:N]tricobalt(II)] tetrahydrate]

2012 ◽  
Vol 68 (4) ◽  
pp. m451-m452
Author(s):  
Xia Yin ◽  
Jun Fan ◽  
Jingling Xin ◽  
Shengrun Zheng ◽  
Weiguang Zhang
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Three Dimensional ◽  
Free Water ◽  
Water Molecules ◽  
Two Dimensional ◽  
Lattice Water ◽  
Free Water Molecule ◽  
Carboxylate Groups ◽  
Coordinated Water

The title compound, {[Co3(C6H4NO2)2(C8H3NO6)2(H2O)2]·4H2O}n, exhibits a two-dimensional layer-like structure in which the CoIIions exhibit two kinds of coordination geometries. One nearly octahedral CoIIion with crystallographic inversion symmetry is coordinated to six carboxylate O atoms from four bridging 5-nitroisophthalate (NIPH) ligands and two isonicotinate (IN) anions, while the other type of CoIIion binds with one N atom and one carboxylate O atom from two IN anions, two carboxylate O atoms from two different NIPH anions and one ligated water molecule, displaying a distorted square-pyramidal coordination geometry. Three adjacent CoIIions are bridged by six carboxylate groups from four NIPH ligands and two IN anions to form a linear trinuclear secondary building unit (SBU). Every trinuclear SBU is linked to its nearest neighbours in theabplane, resulting in a two-dimensional layer-like structure perpendicular to thecaxis. Along thea-axis direction neighbouring molecules are connected through carboxylate and pyridyl units of the IN anions, along thebaxis through carboxylate groups of the NIPH ligands. The H atoms of one free water molecule are disordered in the crystal in a 1:1 ratio. Typical O—H...O hydrogen bonds are observed in the lattice, which include the following contacts: (a) between coordinated water molecules and carboxylate O atoms of the NIPH anions, (b) between lattice water molecules and carboxylate O atoms of the NIPH anions, and (c) between coordinated and lattice water molecules. These intermolecular hydrogen bonds connect the two-dimensional layers to form a three-dimensional supramolecular structure.

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