scholarly journals Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif

2016 ◽  
Vol 72 (1) ◽  
pp. 56-59 ◽  
Author(s):  
Oualid Mokhnache ◽  
Habib Boughzala
Keyword(s):  
Molar Ratio ◽  
Water Molecules ◽  
Lead Iodide ◽  
Hybrid Compound ◽  
Structure Packing ◽  
Organic C ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
Inorganic Lead ◽  
The One

Crystals of the one-dimensional organic–inorganic lead iodide-based compoundcatena-poly[bis(piperazine-1,4-diium) [[tetraiodidoplumbate(II)]-μ-iodido] iodide monohydrate], (C4N2H12)2[PbI5]I·H2O, were obtained by slow evaporation at room temperature of a solution containing lead iodide and piperazine in a 1:2 molar ratio. Inorganic lead iodide chains, organic (C4N2H12)2+cations, water molecules of crystallization and isolated I−anions are connected through N—H...·I, N—H...OWand OW—H...I hydrogen-bond interactions. Zigzag chains of corner-sharing [PbI6]4−octahedra with composition [PbI4/1I2/2]3−running parallel to theaaxis are present in the structure packing.

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

2015 ◽  
Vol 71 (10) ◽  
pp. 929-935 ◽  
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).

The Different Organization of Water in Zeolite L and Its MOF Mimic

2019 ◽  
Author(s):  
gloria tabacchi ◽  
Ettore Fois
Keyword(s):  
Hydrogen Bonds ◽  
Metal Organic Framework ◽  
Water Molecules ◽  
One Dimensional ◽  
Zeolite L ◽  
High Proton ◽  
Metal Organic ◽  
The One ◽  
The Individual ◽  
Water Hydrogen

Abstract:<div>Confinement of molecules inside one dimensional arrays of channel-shaped cavities has led to an impressive number of technologically interesting materials. However, the interactions governing the properties of the supramolecular aggregates still remain obscure, even in the case of the most common guest molecule: water. Herein, we use computational chemistry methods (#compchem) to study the water organization inside two different channel-type environments: zeolite L – a widely used matrix for inclusion of dye molecules, and ZLMOF – the closest metal-organic-framework mimic of zeolite L. In ZLMOF, the methyl groups of the ligands protrude inside the channels, creating nearly isolated nanocavities. These cavities host well-separated ring-shaped clusters of water molecules, dominated mainly by water-water hydrogen bonds. ZLMOF channels thus provide arrays of „isolated supramolecule“ environments, which might be exploited for the individual confinement of small species with interesting optical or catalytic properties. In contrast, the one dimensional nanochannels of zeolite L contain a continuous supramolecular structure, governed by the water interactions with potassium cations and by water-water hydrogen bonds. Water molecules impart a significant energetic stabilization to both materials, which increases by increasing the water content in ZLMOF, while the opposite trend is observed in zeolite L. The water network in zeolite L contains an intriguing hyper-coordinated structure, where a water molecule is surrounded by 5 strong hydrogen bonds. Such a structure, here described for the first time in zeolites, can be considered as a water pre-dissociation complex and might explain the experimentally detected high proton activity in zeolite L nanochannels. </div>

The Na—O bond in sodium fenamate

2019 ◽  
Vol 75 (5) ◽  
pp. 766-774 ◽  
Author(s):  
Marta S. Krawczyk ◽  
Irena Majerz
Keyword(s):  
Noncovalent Interaction ◽  
Sodium Cation ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Surrounding Water ◽  
Polymeric Structure ◽  
One Dimensional ◽  
X Ray ◽  
The One ◽  
Intramolecular Hydrogen

The one-dimensional polymeric structure of sodium diaquafenamate–water (1/1) was studied by X-ray diffraction. The sodium cation is coordinated to one oxygen atom of the carboxylate group and to four water oxygen atoms. To characterize the Na—O bonds, the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) approaches have been used. Both methods confirmed that the Na—O bonds are very weak, comparable with the weak N—H...O intramolecular hydrogen bond. The polymeric structure is stabilized by the interaction of the sodium cation with the surrounding water molecules.

A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione

2019 ◽  
Vol 75 (9) ◽  
pp. 1243-1249
Author(s):  
Jun Zhang ◽  
Xiaofan Ma ◽  
Weili Kong ◽  
Fazhi Xie ◽  
Shizhen Yuan ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chain Structure ◽  
The Other ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
The One

The sulfur coordination polymer catena-poly[zinc(II)-μ2-bis[5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ2 N 3:S]], [Zn(C3H3N2S3)2] n or [Zn2MTT4] n , constructed from Zn2+ ions and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione (HMTT), was synthesized successfully and structurally characterized. [Zn2MTT4] n crystallizes in the tetragonal space group I\overline{4} (No. 82). Each MTT− ligand (systematic name: 5-methylsulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ide) coordinates to two different ZnII ions, one via the thione group and the other via a ring N atom, with one ZnII atom being in a tetrahedral ZnS4 and the other in a tetrahedral ZnN4 coordination environment. These tetrahedral ZnS4 and ZnN4 units are alternately linked by the organic ligands, forming a one-dimensional chain structure along the c axis. The one-dimensional chains are further linked via C—H...N and C—H...S hydrogen bonds to form a three-dimensional network adopting an ABAB-style arrangement that lies along both the a and b axes. The three-dimensional Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots confirm the major interactions as C—H...S hydrogen bonds with a total of 35.1%, while 7.4% are C—H...N hydrogen-bond interactions. [Zn2MTT4] n possesses high thermal and chemical stability and a linear temperature dependence of the bandgap from room temperature to 270 °C. Further investigation revealed that the bandgap changes sharply in ammonia, but only fluctuates slightly in other solvents, indicating its promising application as a selective sensor.

The three-dimensional hydrogen-bonded structures in the ammonium and sodium salt hydrates of 4-aminophenylarsonic acid

2014 ◽  
Vol 70 (8) ◽  
pp. 738-741 ◽  
Author(s):  
Graham Smith ◽  
Urs D. Wermuth
Keyword(s):  
Hydrogen Bonding ◽  
Sodium Salt ◽  
Three Dimensional ◽  
Three Dimensions ◽  
Dimensional Structure ◽  
Water Molecules ◽  
One Dimensional ◽  
Arsanilic Acid ◽  
Hydrogen Bonding Interactions ◽  
The One

The structures of two hydrated salts of 4-aminophenylarsonic acid (p-arsanilic acid), namely ammonium 4-aminophenylarsonate monohydrate, NH4+·C6H7AsNO3−·H2O, (I), and the one-dimensional coordination polymercatena-poly[[(4-aminophenylarsonato-κO)diaquasodium]-μ-aqua], [Na(C6H7AsNO3)(H2O)3]n, (II), have been determined. In the structure of the ammonium salt, (I), the ammonium cations, arsonate anions and water molecules interact through inter-species N—H...O and arsonate and water O—H...O hydrogen bonds, giving the common two-dimensional layers lying parallel to (010). These layers are extended into three dimensions through bridging hydrogen-bonding interactions involving thepara-amine group acting both as a donor and an acceptor. In the structure of the sodium salt, (II), the Na+cation is coordinated by five O-atom donors, one from a single monodentate arsonate ligand, two from monodentate water molecules and two from bridging water molecules, giving a very distorted square-pyramidal coordination environment. The water bridges generate one-dimensional chains extending alongcand extensive interchain O—H...O and N—H...O hydrogen-bonding interactions link these chains, giving an overall three-dimensional structure. The two structures reported here are the first reported examples of salts ofp-arsanilic acid.

scholarly journals catena-Poly[[diaquabis[1,4-bis(pyridin-4-yl)buta-1,3-diyne-κN]iron(II)]-μ-cyanido-κ2N:C-[dicyanido-κ2C-platinum(II)]-μ-cyanido-κ2C:N]

IUCrData ◽  
2017 ◽  
Vol 2 (10) ◽  
Author(s):  
Lucia Piñeiro-López ◽  
Francisco Javier Valverde-Muñoz ◽  
Maksym Seredyuk ◽  
Kateryna Znovjyak
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonds ◽  
Bond Length ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Stacking Interactions ◽  
One Dimensional ◽  
Polymeric Chains ◽  
The One

The molecular structure of the title compound, [FePt(CN)4(C14H8N2)2(H2O)2]n, consists of one-dimensional polymeric [–Fe–NC–Pt(CN)2–CN–]∞chains. Two water molecules and two monodentate 1,4-bis(pyridin-4-yl)buta-1,3-diyne (bpb) ligand molecules complete the octahedral coordination sphere of the FeIIatoms. The Fe—N(py) bond length (py is pyridine) is 2.2700 (15) Å, Fe—N(cyanide) is 2.1185 (16) Å and the Fe—O distance is 2.1275 (14) Å. The water molecules are hydrogen bonded to either bpb ligands or cyanide groups of the planar [Pt(CN)4]2−anion of adjacent polymeric chains. These O—H...N hydrogen bonds, in conjunction with offset and tilted π–π stacking interactions between bpb ligands and cyanide groups, extend the one-dimensional chains into a three-dimensional assembly.

scholarly journals Crystal structures of an imidazo[1,5-a]pyridinium-based ligand and its (C13H12N3)2[CdI4] hybrid salt

2019 ◽  
Vol 75 (8) ◽  
pp. 1209-1214 ◽  
Author(s):  
Olga Yu. Vassilyeva ◽  
Elena A. Buvaylo ◽  
Vladimir N. Kokozay ◽  
Brian W. Skelton ◽  
Alexandre N. Sobolev
Keyword(s):  
Close Packing ◽  
Chloride Ions ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Oxidative Condensation ◽  
Inorganic Layer ◽  
One Dimensional ◽  
Aromatic Stacking ◽  
Nitrate Trihydrate ◽  
The One

The monocation product of the oxidative condensation–cyclization between two molecules of pyridine-2-carbaldehyde and one molecule of CH3NH2·HCl in methanol, 2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridinium, was isolated in the presence of metal ions as bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetraiodocadmate, (C13H12N3)2[CdI4], (I), and the mixed chloride/nitrate salt, bis[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] 1.5-chloride 0.5-nitrate trihydrate, 2C13H12N3 +·1.5Cl−·0.5NO3 −·3H2O, (II). Hybrid salt (I) crystallizes in the space group P21/n with two [L]2[CdI4] molecules in the asymmetric unit related by pseudosymmetry. In the crystal of (I), layers of organic cations and of tetrahalometallate anions are stacked parallel to the ab plane. Antiparallel L + cations disposed in a herring-bone pattern form π-bonded chains through aromatic stacking. In the inorganic layer, adjacent tetrahedral CdI4 units have no connectivity but demonstrate close packing of iodide anions. In the crystal lattice of (II), the cations are arranged in stacks propagating along the a axis; the one-dimensional hydrogen-bonded polymer built of chloride ions and water molecules runs parallel to a column of stacked cations.

scholarly journals Technical note: rectifying systematic underestimation of the specific energy required to evaporate water into the atmosphere

2018 ◽  
Author(s):  
Andrew S. Kowalski
Keyword(s):  
Specific Energy ◽  
Technical Note ◽  
Water Molecules ◽  
Specific Work ◽  
Surface Boundary ◽  
One Dimensional ◽  
The One ◽  
Virtual Temperature ◽  
Work Done ◽  
Latent Heat Of Vaporization

Abstract. Not all of the specific energy consumed when evaporating water into the atmosphere (λ) is due to the latent heat of vaporization (L). What L represents is the specific energy necessary to overcome affinities among liquid water molecules, neglecting the specific work done against atmospheric pressure (p) when water expands in volume (V) from liquid to gas (pV work). Here, in the one-dimensional context typifying micrometeorology, the pV work done in such an expansion is derived based on the Stefan flow velocity at the surface boundary, yielding a simple function of the virtual temperature; additionally, an empirical formula is provided that approximates λ quite accurately over a useful range of environmental conditions. Neglect of this pV work term has caused a systematic 3–4 % underestimation of λ, and to some extent inhibited closure of the surface energy balance.

A new one-dimensional CdII coordination polymer incorporating 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)

2018 ◽  
Vol 74 (10) ◽  
pp. 1128-1132 ◽  
Author(s):  
Yan-Ju Liu ◽  
Di Cheng ◽  
Ya-Xue Li ◽  
Jun-Di Zhang ◽  
Huai-Xia Yang
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Dimensional Structure ◽  
Water Molecules ◽  
Coordination Geometry ◽  
One Dimensional ◽  
Distorted Octahedral ◽  
The One

Imidazole-4,5-dicarboxylic acid (H3IDC) and its derivatives are widely used in the preparation of new coordination polymers owing to their versatile bridging coordination modes and potential hydrogen-bonding donors and acceptors. A new one-dimensional coordination polymer, namely catena-poly[[diaquacadmium(II)]-μ3-2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylato)], [Cd(C16H6N4O8)0.5(H2O)2] n or [Cd(H2Phbidc)1/2(H2O)2] n , has been synthesized by the reaction of Cd(OAc)2·2H2O (OAc is acetate) with 2,2′-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylic acid) (H6Phbidc) under solvothermal conditions. In the polymer, one type of Cd ion (Cd1) is six-coordinated by two N atoms and two O atoms from one H2Phbidc4− ligand and by two O atoms from two water molecules, forming a significantly distorted octahedral CdN2O4 coordination geometry. In contrast, the other type of Cd ion (Cd2) is six-coordinated by two N atoms and two O atoms from two symmetry-related H2Phbidc4− ligands and by two O atoms from two symmetry-related water molecules, leading to a more regular octahedral coordination geometry. The Cd1 and Cd2 ions are linked by H2Phbidc4− ligands into a one-dimensional chain which runs parallel to the b axis. In the crystal, the one-dimensional chains are connected through hydrogen bonds, generating a two-dimensional layered structure parallel to the ab plane. Adjacent layers are further linked by hydrogen bonds, forming a three-dimensional structure in the solid state.

scholarly journals Spatial Electron-hole Separation in a One Dimensional Hybrid Organic–Inorganic Lead Iodide

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Christopher N. Savory ◽  
Robert G. Palgrave ◽  
Hugo Bronstein ◽  
David O. Scanlon
Keyword(s):  
Lead Iodide ◽  
Electron Hole ◽  
One Dimensional ◽  
Inorganic Lead
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