EHT demonstration of ionic structure of 1-methyl-3-carbamoylpyridinium fluoride and tetrafluoroborate

1978 ◽  
Vol 43 (11) ◽  
pp. 3056-3063
Author(s):  
Josef Kuthan ◽  
Vratislav Skála ◽  
Stanislav Böhm
Keyword(s):  
Ionic Structure

Porous imine-based networks with protonated imine linkages for carbon dioxide separation from mixtures with nitrogen and methane

2015 ◽  
Vol 3 (36) ◽  
pp. 18492-18504 ◽  
Author(s):  
Nadine Popp ◽  
Thomas Homburg ◽  
Norbert Stock ◽  
Jürgen Senker
Keyword(s):  
Carbon Dioxide ◽  
Ionic Structure ◽  
Carbon Dioxide Separation ◽  
Protonated Imine

Porous imine-linked networks with protonated imine linkages and an ionic structure were synthesized. They exhibit good carbon dioxide uptakes and CO2/N2 as well as CO2/CH4 separation coefficients.

Synthese und Kristallstrukturen einiger Tetramethylstibonium-Hydrogendicarboxylate / Synthesis and Crystal Structures of Some Tetramethylstibonium Hydrogendicarboxylates

1982 ◽  
Vol 37 (11) ◽  
pp. 1393-1401 ◽  
Author(s):  
Beatrix Milewski-Mahrla ◽  
Hubert Schmidbaur
Keyword(s):  
Hydrogen Bonds ◽  
Crystal Structures ◽  
Spectroscopic Data ◽  
Molar Ratio ◽  
Ionic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Carboxylate Oxygen ◽  
Donor Acceptor ◽  
New Compounds

Reactions of pentamethylantimony (CH3)5Sb with carboxylic acids in the molar ratio 1:2 afford one equivalent of methane and essentially quantitative yields of crystalline tetramothylstibonium hydrogendicarboxylates. Six new compounds of this series have been synthesized using benzoic, o-phthalic, salicylic, 4-ethoxy-salicylic, oxalic, and malic acid, and characterized by analytical and spectroscopic data. An ionic structure with strong hydrogen bonds in the anionic components is proposed.The crystal structures of the hydrogen-dibenzoato (1), hydrogen-ortho-plithalato (2) and 4-ethoxy-hydrogen-salicylate (3) were determined by single crystal X-ray diffraction. The compounds can be described as having ionic lattices with some donor-acceptor inter­actions between the stibonium centers and the carboxylate oxygen atoms. The anions are characterized by strong hydrogen bonds O...H...O. Thus, the (CH3)4Sb-tetrahedron in 1 is distorted by two benzoate oxygon atoms (at 304(2) and 340(2) pin). The cation in 2 is largely undistorted and the anion has a hydrogenphthalate hydrogen bond of d(O...H...O) = 232 pm. The cation-anion contact in 3 is as short as d(Sb-O) = 289 pm rendering the Sb atom pentacoordinate.

scholarly journals catena-Poly[bis(1,3-benzothiazol-3-ium) [[dichloridoantimonate(III)]-di-μ-chlorido-μ-oxido-[chloridoantimonate(III)]-μ-chlorido]]

2016 ◽  
Vol 72 (2) ◽  
pp. 212-214
Author(s):  
Oussama Chebout ◽  
Mhamed Boudraa ◽  
Sofiane Bouacida ◽  
Hocine Merazig ◽  
Chaouki Boudaren
Keyword(s):  
Crystal Packing ◽  
Three Dimensional ◽  
Organic Cations ◽  
Ionic Structure ◽  
Compound C ◽  
Dimensional Network ◽  
Inorganic Cation ◽  
Distorted Octahedral ◽  
Common Face ◽  
Cl Atoms

The title compound, {(C7H6NS)2[Sb2Cl6O]}n, contains two benzothiazolidium cations and one tri-μ-chlorido-trichlorido-μ-oxido-diantimonate(III) anion. The structure of the inorganic cation may be described as as being built up from two polyhedra,i.e.a square-pyramidal SbCl4O and a distorted octahedral SbOCl5unit, sharing a common face (comprising the O atom and two Cl atoms). The two benzothiazole cations are quasi-planar and subtend a dihedral angle of 19.93 (5)°. The crystal packing can be described by alternating (100) layers and [001] chains of the organic cations and inorganic anions connected through an extensive three-dimensional network of N—H...Cl, C—H...O and C—H...Cl hydrogen bonds. This is consolidated by slipped π–π stacking, with centroid-to-centroid distances between the benzothiazole rings of 3.7111 (18)–3.8452 (16) Å. These interactions link the molecules within the layers and also link the layers together and reinforce the cohesion of the ionic structure.

scholarly journals Conceptual Framework for the Conservation of Natural Environment from Toxic Ionic Liquids by QSAR Model

2021 ◽  
Vol 287 ◽  
pp. 03007
Author(s):  
Muhammad Ishaq Khan ◽  
Dzulkarnain Zaini ◽  
Azmi Mohd Shariff
Keyword(s):  
Ionic Liquids ◽  
Natural Environment ◽  
Daily Life ◽  
Qsar Model ◽  
Quantitative Structure Activity Relationship ◽  
Good Choice ◽  
Ionic Structure ◽  
Quantitative Structure ◽  
Imidazolium Ionic Liquids ◽  
Structure Activity

The natural environment has been affected by human activities to fulfil daily life needs. Abundance and hazardousness of the chemicals including ionic liquids is one of the most challenging aspect to be handled by human as well as for the natural environment. Due to ionic structure, ionic liquids are very good choice for a variety of applications. The natural environment might be affected by the ionic liquids which can be toxic. Therefore, there is a need to address this problem by studying the ecotoxicological behaviour of these ionic liquids. The main objective of current research is to model the toxicity ecotoxicological behaviour is studied by quantitative structure activity relationship (QSAR). QSARs predicts the toxicity of ionic liquids. In current research a relationship between polarizability and toxicity for imidazolium ionic liquids with different alky chain length having NTF2 anion has been modelled. The success of current research will be very helpful to protect the nature by minimizing the killing of testing animals as well as ensuring the safety of biotic components of the ecosystem.

Ionic structure and plasmon response in sodium clusters

1998 ◽  
Vol 31 (6) ◽  
pp. 1367-1377 ◽  
Author(s):  
F Calvayrac ◽  
P-G Reinhard ◽  
E Suraud
Keyword(s):  
Ionic Structure ◽  
Sodium Clusters

The building-up principle and atomic and ionic structure

1950 ◽  
Vol 27 (11) ◽  
pp. 622
Author(s):  
D. F. Swinehart
Keyword(s):  
Ionic Structure

scholarly journals Studies of Some Properties and the Structure of Polyethylene Glycol (PEG) Macromolecules Adsorbed on a TiO2 Surface

2001 ◽  
Vol 19 (5) ◽  
pp. 397-407 ◽  
Author(s):  
S. Chibowski ◽  
M. Paszkiewicz
Keyword(s):  
Molecular Weight ◽  
Polyethylene Glycol ◽  
Zeta Potential ◽  
Surface Charge ◽  
Adsorption Layer ◽  
Bulk Solution ◽  
Ionic Structure ◽  
Solution Interface ◽  
Main Factors ◽  
Presence And Absence

In the studies presented, the influence of the molecular weight of polyethylene glycol (PEG) on the adsorption and electrical properties at the metal oxide/polymer solution interface has been determined. The main factors responsible for the observed changes in the zeta potential and surface charge of titania were determined on the basis of the data obtained. It was demonstrated that changes in the ionic structure of the Stern layer depend on the molecular weight of PEG and its conformation. A possible mechanism for the changes in zeta potential both with pH and molecular weight was proposed on the basis of values of the surface charge difference (Δσ0) and the diffuse layer charge difference (Δσd) as determined in the presence and absence of the polymer. The thickness of the adsorption layer (δ) on the surface of titania was calculated from the zeta potential changes, both in the presence and absence of the polymer. A distinct influence of the PEG molecular weight was noted on the values of the adsorption layer thickness (δ) determined. The structures of the macromolecules in solution and at the solid/solution interface were compared and from the dependencies obtained some changes in the shape and dimensions of the polymer coils on passing from the bulk solution to the interface were proposed.

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