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.

Hydrogen-bonded assemblies in the molecular crystals of 2,2′-thiodiacetic acid with ethylenediamine ando-phenylenediamine

2017 ◽  
Vol 73 (2) ◽  
pp. 97-103 ◽  
Author(s):  
V. Gomathi ◽  
C. Theivarasu
Keyword(s):  
Crystal Engineering ◽  
Mechanical Stability ◽  
Three Dimensional ◽  
Molecular Crystals ◽  
Charge Transfer Complexes ◽  
Supramolecular Network ◽  
One Dimensional ◽  
Supramolecular Networks ◽  
Supramolecular Chains ◽  
Hydrogen Bonded

Carboxylate molecular crystals have been of interest due to the presence of hydrogen bonding, which plays a significant role in chemical and crystal engineering, as well as in supramolecular chemistry. Acid–base adducts possess hydrogen bonds which increase the thermal and mechanical stability of the crystal. 2,2′-Thiodiacetic acid (Tda) is a versatile ligand that has been widely explored, employing its multidendate and chelating coordination abilities with many metals; however, charge-transfer complexes of thiodiacetic acid have not been reported. Two salts, namely ethylenediaminium 2,2′-thiodiacetate, C2H10N22+·C4H4O4S22−, denoted Tdaen, and 2-aminoanilinium 2-(carboxymethylsulfanyl)acetate, C6H9N2+·C4H5O4S−, denoted Tdaophen, were synthesized and characterized by IR,1H and13C NMR spectroscopies, and single-crystal X-ray diffraction. In these salts, Tda reacts with the aliphatic (ethylenediamine) and aromatic (o-phenylenediamine) diamines, and deprotonates them to form anions with different valencies and different supramolecular networks. In Tdaen, the divalent Tda2−anions form one-dimensional linear supramolecular chains and these are extended into a three-dimensional sandwich-type supramolecular network by interaction with the ethylenediaminium cations. However, in Tdaophen, the monovalent Tda−anions form one-dimensional zigzag supramolecular chains, which are extended into a three-dimensional supramolecular network by interaction with the 2-aminoanilinium cations. Thus, both three-dimensional structures display different ring motifs. The structures of these diamines, which are influenced by hydrogen-bonded assemblies in the molecular crystals, are discussed in detail.

scholarly journals A one-dimensional HgIIcoordination polymer based on bis(pyridin-3-ylmethyl)sulfane

2017 ◽  
Vol 73 (12) ◽  
pp. 1871-1874
Author(s):  
Suk-Hee Moon ◽  
Youngjin Kang ◽  
Ki-Min Park
Keyword(s):  
Hydrogen Bonds ◽  
Central Atom ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Zigzag Chain ◽  
Asymmetric Unit ◽  
Tetrahedral Geometry ◽  
One Dimensional ◽  
Centroid Distance ◽  
The One

The reaction of mercury(II) chloride with bis(pyridin-3-ylmethyl)sulfane (L, C12H12N2S) in methanol afforded the title crystalline coordination polymercatena-poly[[dichloridomercury(II)]-μ-bis(pyridin-3-ylmethyl)sulfane-κ2N:N′], [HgCl2L]n. The asymmetric unit consists of one HgIIcation, oneLligand and two chloride anions. Each HgIIion is coordinated by two pyridine N atoms from separateLligands and two chloride anions. The metal adopts a highly distorted tetrahedral geometry, with bond angles about the central atom in the range 97.69 (12)–153.86 (7)°. EachLligand bridges two HgIIions, forming an infinite –(Hg–L)n– zigzag chain along thebaxis, with an Hg...Hg separation of 10.3997 (8) Å. In the crystal, adjacent chains are connected by intermolecular C—H...Cl hydrogen bonds, together with Hg—Cl...π interactions [chloride-to-centroid distance = 3.902 (3) Å], that form between a chloride anion and the one of the pyridine rings ofL, generating a two-dimensional layer extending parallel to (101). These layers are further linked by intermolecular C—H...π hydrogen bonds, forming a three-dimensional supramolecular network.

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 Crystal structure of the one-dimensional coordination polymer formed by the macrocyclic [Ni(cyclam)]2+ cation and the dianion of diphenylsilanediylbis(4-benzoic acid)

2020 ◽  
Vol 76 (6) ◽  
pp. 929-932
Author(s):  
Sergey P. Gavrish ◽  
Sergiu Shova ◽  
Maria Cazacu ◽  
Yaroslaw D. Lampeka
Keyword(s):  
Crystal Structure ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Polymeric Chain ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Polymeric Chains ◽  
The One

The asymmetric unit of the title compound, catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4 N 1,N 4,N 8,N 11)nickel(II)]-μ-4,4′-(diphenylsilanediyl)dibenzoato-κ2 O:O′] sesquihydrate], {[Ni(C26H18O4Si)(C10H24N4)]·1.5H2O} n , consists of the halves of the centrosymmetric macrocyclic cation and the C 2-symmetric dicarboxylate dianion and of the water molecule of crystallization. The Ni2+ ion is coordinated by the four secondary N atoms of the macrocyclic ligand characterized by the most energetically favourable trans-III conformation and two mutually trans O atoms of the carboxylate, forming a slightly tetragonally elongated trans-N4O2 octahedron. The crystals are composed of parallel polymeric chains of the macrocyclic cations linked by the anions of the acid running along the [101] direction. Each polymeric chain is bonded to four neighbouring ones via water molecules providing O—H...O hydrogen bonds to the non-coordinated carboxyl O atoms to form a three-dimensional supramolecular network.

scholarly journals Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]2+ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation

2020 ◽  
Vol 76 (3) ◽  
pp. 446-451 ◽  
Author(s):  
Sergey P. Gavrish ◽  
Sergiu Shova ◽  
Maria Cazacu ◽  
Mihaela Dascalu ◽  
Yaroslaw D. Lampeka
Keyword(s):  
Metal Ion ◽  
Macrocyclic Ligand ◽  
Three Dimensional ◽  
Polymeric Chain ◽  
Supramolecular Network ◽  
One Dimensional ◽  
Polymeric Chains ◽  
Carboxylic Groups ◽  
The One ◽  
Oriented Parallel

The asymmetric units of the title compounds, namely, catena-poly[[(1,4,8,11-tetraazacyclotetradecane-κ4 N 1,N 4,N 8,N 11)nickel(II)]-μ-1,3-bis(3-carboxylatopropyl)tetramethyldisiloxane-κ2 O:O′], [Ni(C10H24O5Si2)(C12H24N4)] n (I), and catena-poly[[[(1,4,8,11-tetraazacyclotetradecane-κ4 N 1,N 4,N 8,N 11)nickel(II)]-μ-4-({[(3-carboxypropyl)dimethylsilyl]oxy}dimethylsilyl)butanoato-κ2 O:O′] perchlorate], {[Ni(C10H25O5Si2)(C12H24N4)]ClO4} n (II), consist of one (in I) or two crystallographically non-equivalent (in II) centrosymmetric macrocyclic cations and one centrosymmetric dianion (in I) or two centrosymmetric monoanions (in II). In each compound, the metal ion is coordinated by the four secondary N atoms of the macrocyclic ligand, which adopts the most energetically stable trans-III conformation, and the mutually trans O atoms of the carboxylate in a slightly tetragonally distorted trans-NiN4O2 octahedral coordination geometry. The crystals of both types of compounds are composed of parallel polymeric chains of the macrocyclic cations linked by the anions of the acid running along the [101] and [110] directions in I and II, respectively. In I, each polymeric chain is linked to four neighbouring ones by hydrogen bonding between the NH groups of the macrocycle and the carboxylate O atoms, thus forming a three-dimensional supramolecular network. In II, each polymeric chain contacts with only two neighbours, forming hydrogen bonds between the partially protonated carboxylic groups of the bridging ligand. As a result, a lamellar structure is formed with the layers oriented parallel to the (1\overline{1}1) plane.

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.

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>

scholarly journals The three dimensional stabilization of superconductivity at 12 K in the one dimensional organic superconductor (TMTSF)2PF6 under 11 kbar

1981 ◽  
Vol 42 (19) ◽  
pp. 445-449 ◽  
Author(s):  
A. Fournel ◽  
C. More ◽  
G. Roger ◽  
J.P. Sorbier ◽  
J.M. Delrieu ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Organic Superconductor ◽  
One Dimensional ◽  
The One
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