A one-dimensional silver(I) coordination polymer based on an asymmetric flexibleN-donor carboxylate ligand:catena-poly[(μ3-4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoato-κ3O:O′:N4)silver(I)]

2014 ◽  
Vol 70 (3) ◽  
pp. 292-296
Author(s):  
Hai-Na Zhang ◽  
Qing-Fu Zhang ◽  
Jia-Jia Wang ◽  
Ai-Jing Geng ◽  
Chong Zhang
Keyword(s):  
Title Compound ◽  
Room Temperature ◽  
Three Dimensional ◽  
Aromatic Rings ◽  
Green Luminescence ◽  
One Dimensional ◽  
Good Thermal Stability ◽  
Face To Face ◽  
Interchain Interactions ◽  
The One

The title compound, [Ag(C15H11N4O2S)]n, was synthesized by the reaction of 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (Hptmba) with silver nitrate and triethylamine at room temperature. The asymmetric unit contains one crystallographically independent AgIcation and one ptmba−ligand. Each AgIcation is tricoordinated by two carboxylate O atoms and one tetrazole N atom from three different ptmba−ligands, displaying a distorted T-shaped geometry. Three AgIcations are linked by tris-monodentate bridging ptmba−ligands to form a one-dimensional double chain along thecaxis, which is further consolidated by an intrachain π–π contact with an offset face-to-face distance of 4.176 (3) Å between the centroids of two adjacent aromatic rings in neighbouring benzoate groups. The one-dimensional chains are linked into a three-dimensional supramolecular framework by additional π–π interchain interactions,viz.of 3.753 (3) Å between two phenyl substituents of the tetrazole rings and of 4.326 (2) Å between a benzoate ring and a tetrazole ring. Thermogravimetric analysis and the fluorescence spectrum of the title compound reveal its good thermal stability and a strong green luminescence at room temperature.

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.

A one-dimensional zinc(II) coordination polymer with a three-dimensional supramolecular architecture incorporating 1-[(1H-benzimidazol-2-yl)methyl]-1H-tetrazole and adipate

2016 ◽  
Vol 72 (12) ◽  
pp. 1002-1006 ◽  
Author(s):  
Chun-Li Liu ◽  
Qiu-Ying Huang ◽  
Xiang-Ru Meng
Keyword(s):  
Coordination Polymer ◽  
Room Temperature ◽  
Main Chain ◽  
Three Dimensional ◽  
Coordination Geometry ◽  
Supramolecular Architecture ◽  
One Dimensional ◽  
Potential Applications ◽  
Metal Organic ◽  
The One

The synthesis of coordination polymers or metal–organic frameworks (MOFs) has attracted considerable interest owing to the interesting structures and potential applications of these compounds. It is still a challenge to predict the exact structures and compositions of the final products. A new one-dimensional coordination polymer,catena-poly[[[bis{1-[(1H-benzimidazol-2-yl)methyl]-1H-tetrazole-κN3}zinc(II)]-μ-hexane-1,6-dicarboxylato-κ4O1,O1′:O6,O6′] monohydrate], {[Zn(C6H8O4)(C9H8N6)2]·H2O}n, has been synthesized by the reaction of Zn(Ac)2(Ac is acetate) with 1-[(1H-benzimidazol-2-yl)methyl]-1H-tetrazole (bimt) and adipic acid (H2adi) at room temperature. In the polymer, each ZnIIion exhibits an irregular octahedral ZnN2O4coordination geometry and is coordinated by two N atoms from two symmetry-related bimt ligands and four O atoms from two symmetry-related dianionic adipate ligands. ZnIIions are connected by adipate ligands into a one-dimensional chain which runs parallel to thecaxis. The bimt ligands coordinate to the ZnIIions in a monodentate mode on both sides of the main chain. In the crystal, the one-dimensional chains are further connected through N—H...O hydrogen bonds, leading to a three-dimensional supramolecular architecture. In addition, the title polymer exhibits fluorescence, with emissions at 334 and 350 nm in the solid state at room temperature.

Reliability of π–π Stacking Interactions in Crystal Engineering: Synthesis and Structure of a Hemidirected Lead Complex

2008 ◽  
Vol 2008 (10) ◽  
pp. 578-580
Author(s):  
Tao Li ◽  
Hai-bin He ◽  
Mao-Sheng Jiang ◽  
Ming-Jie Huang ◽  
Xiang-Yang Cai
Keyword(s):  
Crystal Engineering ◽  
Three Dimensional ◽  
Lone Pair ◽  
Supramolecular Network ◽  
Aromatic Rings ◽  
One Dimensional ◽  
The One ◽  
Lead Complex ◽  
Single Crystal Analysis ◽  
Polymeric Framework

A new three-dimensional polymeric supramolecular PbII complex, {[Pb3(bpy)3(ip)3](H2O)}n, (bpy = 2,2′-bipyridine and ip = isophthalate), has been synthesised and characterised. Single-crystal analysis shows that {[Pb3(bpy)3(ip)3](H2O)}n contains a one-dimensional chain polymeric framework and all the Pb centres with a coordination number of six possess an electron lone pair. The coordination sphere is hemidirected which gives a highly distorted geometry. The arrangement of O- and N- atoms towards Pb atoms suggests a gap or hole in the coordination geometry around these atoms. Moreover, there are three types of π–π interactions between aromatic rings and the one-dimensional chains, which are connected by these interactions to form a three dimensional supramolecular network with the channels occupied by water molecules.

Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I4unit

2013 ◽  
Vol 69 (5) ◽  
pp. 494-497 ◽  
Author(s):  
Shao-Hua Luo
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Three Dimensional ◽  
The Other ◽  
Methanol Molecule ◽  
Dimensional Structure ◽  
Asymmetric Unit ◽  
Aromatic Rings ◽  
One Dimensional ◽  
Carboxylate Groups

The asymmetric unit of the title compound, [Pb2(C8H3IO4)2(CH4O)]n, contains two PbIIatoms, two 5-iodoisophthalate (5-IIP2−) ligands and one coordinated methanol molecule. One Pb atom is eight-coordinated, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands and one O atom from the terminal methanol ligand. The other Pb atom is seven-coordinated in a hemidirected geometry, surrounded by seven carboxylate O atoms from five 5-IIP2−ligands. Both Pb atoms are connected by carboxylate groups to form a one-dimensional infinite rod along theaaxis; neighbouring rods are further linked by the aromatic rings of 5-IIP2−to generate the final three-dimensional structure with channels in theadirection. An O—H...O hydrogen bond between the methanol ligand and one of the carboxylate groups of a 5-IIP2−ligand stablizes the three-dimensional framework. Interestingly, a centrosymmetric rhombus-shaped I4unit is formed by four 5-IIP2−ligands, with I...I distances of 3.8841 (8) and 3.9204 (8) Å.

Poly[(μ3-benzene-1,4-dicarboxylato)di-μ-chlorido-(triethanolamine)dicadmium(II)]: a cadmium–halide coordination polymer with a hydrogen-bonded three-dimensional framework

2012 ◽  
Vol 68 (4) ◽  
pp. m109-m112 ◽  
Author(s):  
Xiyun He ◽  
Jianyi Lv ◽  
Guohai Xu
Keyword(s):  
Hydrogen Bond ◽  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Hydrogen Bond Donor ◽  
One Dimensional ◽  
The One ◽  
Hydroxy Groups ◽  
Hydrogen Bonded

The structure of the title compound, [Cd2(C8H4O4)Cl2(C6H15NO3)]n, consists of one-dimensional chains in which each centrosymmetric tetranuclear Cd4Cl4O2cluster is terminated by two chelating triethanolamine (teaH3) ligands but linked to two adjacent clusters through four bridging benzene-1,4-dicarboxylate (bdc) ligands. The tetranuclear Cd4Cl4O2clusters are held togetherviabridging Cl and O atoms. Three directional hydrogen bonds from the multi-podal hydroxy groups of the teaH3ligand stabilize and extend the one-dimensional chains into a three-dimensional framework. All three hydroxy groups of the teaH3ligand form hydrogen bonds, illustrating the fact that the teaH3ligand can serve as an excellent hydrogen-bond donor.

Exploring the Multidimensional Facets of Authoritarianism: Authoritarian Aggression and Social Dominance Orientation

2008 ◽  
Vol 67 (1) ◽  
pp. 51-60 ◽  
Author(s):  
Stefano Passini
Keyword(s):  
Social Dominance ◽  
Factor Model ◽  
Three Dimensional ◽  
Social Dominance Orientation ◽  
Model Fit ◽  
Regression Analyses ◽  
One Dimensional ◽  
Confirmatory Factor ◽  
The One ◽  
Better Than

The relation between authoritarianism and social dominance orientation was analyzed, with authoritarianism measured using a three-dimensional scale. The implicit multidimensional structure (authoritarian submission, conventionalism, authoritarian aggression) of Altemeyer’s (1981, 1988) conceptualization of authoritarianism is inconsistent with its one-dimensional methodological operationalization. The dimensionality of authoritarianism was investigated using confirmatory factor analysis in a sample of 713 university students. As hypothesized, the three-factor model fit the data significantly better than the one-factor model. Regression analyses revealed that only authoritarian aggression was related to social dominance orientation. That is, only intolerance of deviance was related to high social dominance, whereas submissiveness was not.

scholarly journals Crystal structure of (3E)-3-(2,4-dinitrophenoxymethyl)-4-phenylbut-3-en-2-one

2014 ◽  
Vol 70 (9) ◽  
pp. o1051-o1052 ◽  
Author(s):  
Ignez Caracelli ◽  
Stella H. Maganhi ◽  
Paulo J. S. Moran ◽  
Bruno R. S. de Paula ◽  
Felix N. Delling ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Double Bond ◽  
Nitro Group ◽  
Benzene Ring ◽  
Torsion Angle ◽  
Title Compound ◽  
Phenyl Ring ◽  
Aromatic Rings ◽  
Compound C ◽  
The One

In the title compound, C17H14N2O6, the conformation about the C=C double bond [1.345 (2) Å] isE, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in theorthoposition is twisted [O—N—C—C = 138.28 (13)°]. The molecules associateviaC—H...O interactions, involving both O atoms from the 2-nitro group, to form a helical supramolecular chain along [010]. Nitro–nitro N...O interactions [2.8461 (19) Å] connect the chains into layers that stack along [001].

On the numerical study of thermohydrodynamics and biochemistry of inland water bodies

2021 ◽  
Author(s):  
Daria Gladskikh ◽  
Evgeny Mortikov ◽  
Victor Stepanenko
Keyword(s):  
Mixed Layer ◽  
Numerical Study ◽  
Three Dimensional ◽  
Water Bodies ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
One Dimensional ◽  
Lake Model ◽  
Upper Mixed Layer ◽  
The One

<p>The study of thermodynamic and biochemical processes of inland water objects using one- and three-dimensional RANS numerical models was carried out both for idealized water bodies and using measurements data. The need to take into account seiche oscillations to correctly reproduce the deepening of the upper mixed layer in one-dimensional (vertical) models is demonstrated. We considered the one-dimensional LAKE model [1] and the three-dimensional model [2, 3, 4] developed at the Research Computing Center of Moscow State University on the basis of a hydrodynamic code combining DNS/LES/RANS approaches for calculating geophysical turbulent flows. The three-dimensional model was supplemented by the equations for calculating biochemical substances by analogy with the one-dimensional biochemistry equations used in the LAKE model. The effect of mixing processes on the distribution of concentration of greenhouse gases, in particular, methane and oxygen, was studied.</p><p>The work was supported by grants of the RF President’s Grant for Young Scientists (MK-1867.2020.5, MD-1850.2020.5) and by the RFBR (19-05-00249, 20-05-00776). </p><p>1. Stepanenko V., Mammarella I., Ojala A., Miettinen H., Lykosov V., Timo V. LAKE 2.0: a model for temperature, methane, carbon dioxide and oxygen dynamics in lakes // Geoscientific Model Development. 2016. V. 9(5). P. 1977–2006.<br>2. Mortikov E.V., Glazunov A.V., Lykosov V.N. Numerical study of plane Couette flow: turbulence statistics and the structure of pressure-strain correlations // Russian Journal of Numerical Analysis and Mathematical Modelling. 2019. 34(2). P. 119-132.<br>3. Mortikov, E.V. Numerical simulation of the motion of an ice keel in stratified flow // Izv. Atmos. Ocean. Phys. 2016. V. 52. P. 108-115.<br>4. Gladskikh D.S., Stepanenko V.M., Mortikov E.V. On the influence of the horizontal dimensions of inland waters on the thickness of the upper mixed layer // Water Resourses. 2021.V. 45, 9 pages. (in press) </p>

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