scholarly journals Crystal Structures, Hirshfeld Surfaces, and Thermal Study of Isostructural Polymeric Ladders of La(III) and Sm(III) Coordination Compounds with 4,4’-Bipyridine and Dibromoacetates

Materials ◽  
2020 ◽  
Vol 13 (19) ◽  
pp. 4274
Author(s):  
Agnieszka Czylkowska ◽  
Anna Pietrzak ◽  
Małgorzata Szczesio ◽  
Bartłomiej Rogalewicz ◽  
Jakub Wojciechowski
Keyword(s):  
Crystal Structures ◽  
Coordination Compounds ◽  
Central Atom ◽  
Thermal Study ◽  
Hirshfeld Surface ◽  
Mixed Ligand ◽  
Enrichment Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hirshfeld Surfaces

Two novel mixed ligand complexes with general formula [M2(4,4′-bpy)1.5(CBr2HCOO)6(H2O)2]n (where 4,4′-bpy = 4,4′-bipyridine) were synthesized. Thermal analysis was used to describe a solid intermediate and final products of thermolysis. A coupled TG-MS system was used to monitor principal volatile fragments evolved during pyrolysis. Crystal structures of the complexes were determined. Cationic dinuclear M2 (M(III) = La, Sm) coordination cores were obtained. Both crystal structures are isostructural. Single crystal X-ray diffraction analysis revealed that investigated structures of 1D coordination polymers assembled in ladder-like systems. The central atom replacement resulted in unit cell identity parameter П = 0.0091. Additionally, the isostructurality of the reported La(III) and Sm(III) complexes was revealed using Hirshfeld Surface analysis supported by Enrichment Ratio calculations.

New Cu(II), Co(II), and Ni(II) complexes with thieno[2,3-b]pyridine and 2-methylthieno[2,3-b]pyridine as ligands: Synthesis and crystal structures

2009 ◽  
Vol 63 (3) ◽  
Author(s):  
Ján Halgaš ◽  
Viera Kolenová ◽  
Zuzana Števíková ◽  
Lucia Perašínová ◽  
Jozef Kožíšek
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Crystal Structures ◽  
Elemental Analysis ◽  
Zinc Chloride ◽  
Coordination Compounds ◽  
Biological Activities ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir

AbstractAlthough thienopyridines attract attention because of their biological activities, they have not been used as ligands in coordination compounds. Thieno[2,3-b]pyridine was prepared by known procedures; by reduction of 2-nitrothiophene, and reaction of the resulting 2-thienyl ammonium salt with malondialdehyde tetramethylacetal in the presence of zinc chloride. The same procedure was used for the preparation of a new derivative, 2-methylthieno[2,3-b]pyridine, starting from 2-methyl-5-nitrothiophene. The thienopyridines were used in the synthesis of coordination compounds. Chlorides, isothiocyanates, acetates, and chloroacetates of copper(II), nickel(II), or cobalt(II) were used as starting salts. The prepared complexes were characterized by elemental analysis and FT IR. Structures of the four complexes were determined by single-crystal X-ray diffraction analysis.

scholarly journals Synthesis, X-ray diffraction and Hirshfeld surface analysis of two new hybrid dihydrate compounds: (C6H22N4)[SnCl6]Cl2·2H2O and (C8H24N4)[SnCl6]Cl2·2H2O

2018 ◽  
Vol 74 (2) ◽  
pp. 206-211
Author(s):  
Rafika Bouchene ◽  
Zohir Lecheheb ◽  
Ratiba Belhouas ◽  
Sofiane Bouacida
Keyword(s):  
Crystal Structures ◽  
Surface Analysis ◽  
Three Dimensional ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Inorganic Hybrid ◽  
X Ray ◽  
Hybrid Compounds

Two new organic–inorganic hybrid compounds, triethylenetetraammonium hexachloridostannate (IV) dichloride dihydrate, (C6H22N4)[SnCl6]Cl2·2H2O, (I), and 1,4-bis(2-ammonioethyl)piperazin-1,4-diium hexachloridostannate (IV) dichloride dihydrate, (C8H24N4)[SnCl6]Cl2·2H2O, (II), have been synthesized from the same starting materials. In each case both the cations and anions are located about inversion centers. Their crystal structures exhibits alternating inorganic and organic stacking sheets in (I) and layers in (II), with Cl− ions and water molecules occupying the space in between. The cohesion of the three-dimensional frameworks are governed by N—H...Cl, N—H...O, C—H...Cl and O—H...Cl hydrogen bonds. Hirshfeld surface analysis of both crystal structures indicates that the H...Cl/Cl...H contacts exert an important influence on the stabilization of the packing.

scholarly journals Synthesis, crystal structures, Hirshfeld surface analysis and physico-chemical characterization of two new ZnII and CdII halidometallates

2021 ◽  
Author(s):  
Ali Rayes ◽  
Manel Moncer ◽  
Irene Ara ◽  
Necmi Dege ◽  
Brahim Ayed
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Surface Analysis ◽  
Chemical Characterization ◽  
Chair Conformation ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
X Ray

Abstract Two new organic–inorganic hybrid materials, based on 1,3-CycloHexaneBis-(Methyl Amine), abbreviated CHBMA, namely (H2CHBMA)ZnCl4·2H2O (CP1) and (H2CHBMA)CdI4·2H2O (CP2), have been synthesized under mild conditions in acidic media and characterized by single-crystal X-ray diffraction, spectroscopic techniques (13C NMR, FTIR, RAMAN) and thermal analysis. The crystal structures of the two compounds were solved by single-crystal X-ray diffraction methods. Both compounds show a 3-dimensional supramolecular structure directed by various interactions between tetrahalidometallate anions (ZnCl42−, CdI42−), water molecule and organic cations (H2CHBMA)2+. For both compounds, the cyclohexane ring of the template cation is in a chair conformation with the methylammonium substituent in the equatorial positions and the two terminal ammonium groups in a cis conformation but with two different orientations (upward for CP1 and downward for CP2) which influences the supramolecular architecture of the two structures. Hirshfeld surface analysis and the associated two-dimensional finger print plots were used to explore and quantify the intermolecular interactions in the crystals.

Structural chemistry of fluoride and mixed-ligand fluoride complexes of gallium(III)

2017 ◽  
Vol 37 (3-4) ◽  
pp. 147-184 ◽  
Author(s):  
Ruven Davidovich ◽  
Pavel Fedorov ◽  
Arthur Popov
Keyword(s):  
Crystal Structures ◽  
Structural Information ◽  
Outer Sphere ◽  
Mixed Ligand ◽  
Structural Chemistry ◽  
X Ray Diffraction ◽  
Coordination Polyhedra ◽  
X Ray ◽  
Cell Parameters ◽  
Fluoride Complexes

AbstractThis article covers the structural chemistry of fluoride and mixed-ligand fluoride complexes of gallium(III), discusses more than 140 known crystal structures of anionic fluoride and mixed-ligand fluoride complexes and continues the discussion initiated in previous reviews dedicated to the stereochemistry and structural chemistry of group III–V metals fluoride complexes. Most of these structures have been established by single-crystal X-ray diffraction techniques, but some were characterized by powder X-ray diffraction methods. This paper offers a discussion of the geometry of gallium and outer sphere cation coordination polyhedra, the association of gallium atoms in dimer and polymer formations, types of cation-anion interactions, and their contributions in actual three-dimensional crystal structures. The structural information has been compiled in a single table containing phase compositions and the corresponding standard crystallographic data (such as crystal system, space group, unit cell parameters, number of formula units per cell [Z], reliability factors [R1], Ga-F, and Ga-O bond lengths).

Tuning the crystal structures of metal-tetraphenylporphines via a magnetic field

2018 ◽  
Vol 42 (15) ◽  
pp. 12570-12575 ◽  
Author(s):  
Chen Chen ◽  
Xiao-Tong He ◽  
Dan-Li Hong ◽  
Jing-Wen Wang ◽  
Yang-Hui Luo ◽  
...  
Keyword(s):  
Magnetic Field ◽  
Magnetic Fields ◽  
Single Crystal ◽  
Single Crystals ◽  
Crystal Structures ◽  
Surface Analysis ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
X Ray Diffraction ◽  
X Ray

In this work, two new single crystals of copper-tetraphenylporphine (Cu-TPP) (crystals 2 and 3), which were induced by external magnetic fields with strengths of 0.5 and 0.8 T, respectively, have been prepared and characterized by single-crystal X-ray diffraction and Hirshfeld surface analysis.

scholarly journals Exploring weak intermolecular interactions in thiocyanate-bonded Zn(ii) and Cd(ii) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties

RSC Advances ◽  
2018 ◽  
Vol 8 (42) ◽  
pp. 23891-23902 ◽  
Author(s):  
Alejandro Di Santo ◽  
Hiram Pérez ◽  
Gustavo A. Echeverría ◽  
Oscar E. Piro ◽  
Rodrigo A. Iglesias ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Surface Analysis ◽  
Intermolecular Interactions ◽  
Coordination Compounds ◽  
Hirshfeld Surface ◽  
Hirshfeld Surface Analysis ◽  
Luminescence Properties ◽  
X Ray ◽  
Imidazole Derivatives ◽  
Weak Intermolecular Interactions

We report the synthesis, spectroscopy and X-ray crystal structures of four Cd(ii) and Zn(ii) coordination compounds with imidazole derivatives and thiocyanate as co-ligands.

Invariant and variable intermolecular interactions in functionalized malonic acid half-esters: X-ray, Hirshfeld surface and PIXEL energy analyses

CrystEngComm ◽  
2015 ◽  
Vol 17 (4) ◽  
pp. 904-915 ◽  
Author(s):  
Perumal Venkatesan ◽  
Subbiah Thamotharan ◽  
Rajendran Ganesh Kumar ◽  
Andivelu Ilangovan
Keyword(s):  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Malonic Acid ◽  
Hirshfeld Surface ◽  
Energy Calculations ◽  
X Ray ◽  
Hirshfeld Surfaces

A series of functionalized malonic acid half-ester derivatives have been synthesized and their crystal structures are determined. Invariant and variable intermolecular interactions in these derivatives are analysed using Hirshfeld surfaces and PIXEL energy calculations.

Transmission electron microscope studies in special ceramics

1978 ◽  
Vol 36 (1) ◽  
pp. 268-269
Author(s):  
A. Zangvil ◽  
L.J. Gauckler ◽  
G. Schneider ◽  
M. Rühle
Keyword(s):  
Phase Diagrams ◽  
Crystal Structures ◽  
Thin Foil ◽  
Limited Extent ◽  
Complex Materials ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Electron Microscopes ◽  
Lattice Resolution

The use of high temperature special ceramics which are usually complex materials based on oxides, nitrides, carbides and borides of silicon and aluminum, is critically dependent on their thermomechanical and other physical properties. The investigations of the phase diagrams, crystal structures and microstructural features are essential for better understanding of the macro-properties. Phase diagrams and crystal structures have been studied mainly by X-ray diffraction (XRD). Transmission electron microscopy (TEM) has contributed to this field to a very limited extent; it has been used more extensively in the study of microstructure, phase transformations and lattice defects. Often only TEM can give solutions to numerous problems in the above fields, since the various phases exist in extremely fine grains and subgrain structures; single crystals of appreciable size are often not available. Examples with some of our experimental results from two multicomponent systems are presented here. The standard ion thinning technique was used for the preparation of thin foil samples, which were then investigated with JEOL 200A and Siemens ELMISKOP 102 (for the lattice resolution work) electron microscopes.

scholarly journals Crystal Chemical Relations in the Shchurovskyite Family: Synthesis and Crystal Structures of K2Cu[Cu3O]2(PO4)4 and K2.35Cu0.825[Cu3O]2(PO4)4

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 807
Author(s):  
Ilya V. Kornyakov ◽  
Sergey V. Krivovichev
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Structural Complexity ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Complexity Measures ◽  
X Ray ◽  
The Family ◽  
Similarities And Differences ◽  
Related Compounds

Single crystals of two novel shchurovskyite-related compounds, K2Cu[Cu3O]2(PO4)4 (1) and K2.35Cu0.825[Cu3O]2(PO4)4 (2), were synthesized by crystallization from gaseous phase and structurally characterized using single-crystal X-ray diffraction analysis. The crystal structures of both compounds are based upon similar Cu-based layers, formed by rods of the [O2Cu6] dimers of oxocentered (OCu4) tetrahedra. The topologies of the layers show both similarities and differences from the shchurovskyite-type layers. The layers are connected in different fashions via additional Cu atoms located in the interlayer, in contrast to shchurovskyite, where the layers are linked by Ca2+ cations. The structures of the shchurovskyite family are characterized using information-based structural complexity measures, which demonstrate that the crystal structure of 1 is the simplest one, whereas that of 2 is the most complex in the family.

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