A study on the coordination of cyclohexanocucurbit[6]uril with copper, zinc, and magnesium ions

Abstract Herein, we report the supramolecular complexes of cyclohexanocucurbit[6]uril (CyH6Q[6]) with Cu(ClO4)2, Zn(ClO4)2, and Mg(ClO4)2 in formic acid solution. The crystal structure was determined using single crystal X-ray diffraction. The analysis results showed that CyH6Q [6] formed a one-dimensional supramolecular chain with Cu(ClO4)2 and formed a supramolecular assembly with a mixture ratio of 2:3 with Zn(ClO4)2 and Mg(ClO4)2. In this system, ClO 4 − {\text{ClO}}_{4}^{-} induced CyH6Q[6] and metal ions to form supramolecular complexes through ion–dipole interactions.

Download Full-text

Supramolecular assemblies of phenolic metalloporphyrins: Structures and electrochemical studies

Journal of Porphyrins and Phthalocyanines ◽

10.1142/s108842461950007x ◽

2019 ◽

Vol 23 (01n02) ◽

pp. 103-116 ◽

Cited By ~ 1

Author(s):

Gia Co Quan ◽

Morgane Denis ◽

Brian Abeykoon ◽

Jean-Bernard Tommasino ◽

Erwann Jeanneau ◽

...

Keyword(s):

Supramolecular Assembly ◽

Electrochemical Studies ◽

Redox Behavior ◽

Metallic Ions ◽

X Ray Diffraction ◽

Supramolecular Compounds ◽

One Dimensional ◽

X Ray ◽

Axial Coordination ◽

Supramolecular Architectures

The reactivity of two phenolic porphyrins bearing respectively catechol and gallol-derived meso substituents (5,10,15,20-tetrakis(3,4-dihydroxyphenyl)porphyrin and 5,10,15,20-tetrakis(3,4,5-trihydroxyphenyl)porphyrin) with trivalent metallic ions (Fe, Mn, In) was studied. Six supramolecular compounds were obtained and structurally characterized by single crystal X-ray diffraction. In each compound, the supramolecular assembly was based on the axial coordination of a phenolate function to the metallic ion lying in the porphyrinic core. A great diversity of supramolecular architectures was accessible through such simple arrangements, and objects ranging from dimers to one-dimensional polymers were isolated. Some of these assemblies were further investigated in solution by mass spectrometry and by UV-vis absorption spectroscopy. For the iron-based materials, the redox behavior was studied in solution through cyclic voltammetry experiments in inert conditions and under air.

Download Full-text

The 3-Dimensional Molecular Structure of the Actin Filament Revisited

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100119223 ◽

1985 ◽

Vol 43 ◽

pp. 480-481

Author(s):

U. Aebi ◽

R. Millonig ◽

H. Salvo

Keyword(s):

Actin Filament ◽

Supramolecular Assembly ◽

Specimen Preparation ◽

X Ray Diffraction ◽

Single Filament ◽

X Ray ◽

3 Dimensional ◽

Filament Diameter ◽

Preparation Conditions ◽

Apparent Diameter

To date, most 3-D reconstructions of undecorated actin filaments have been obtained from actin filament paracrystal data (for refs, see 1,2). However, due to the fact that (a) the paracrystals may be several filament layers thick, and (b) adjacent filaments may sustantially interdigitate, these reconstructions may be subject to significant artifacts. None of these reconstructions has permitted unambiguous tracing or orientation of the actin subunits within the filament. Furthermore, measured values for the maximal filament diameter both determined by EM and by X-ray diffraction analysis, vary between 6 and 10 nm. Obviously, the apparent diameter of the actin filament revealed in the EM will critically depend on specimen preparation, since it is a rather flexible supramolecular assembly which can easily be bent or distorted. To resolve some of these ambiguities, we have explored specimen preparation conditions which may preserve single filaments sufficiently straight and helically ordered to be suitable for single filament 3-D reconstructions, possibly revealing molecular detail.

Download Full-text

Formalism for the determination of intermediate stress gradients using X-ray diffraction

Journal of Applied Crystallography ◽

10.1107/s0021889809004300 ◽

2009 ◽

Vol 42 (2) ◽

pp. 192-197 ◽

Cited By ~ 3

Author(s):

Thomas Gnäupel-Herold

Keyword(s):

Lattice Strain ◽

Narrow Line ◽

X Ray Diffraction ◽

Beam Spot ◽

Strain Measurements ◽

One Dimensional ◽

X Ray ◽

Stress Gradients ◽

Shaped Beam

A method is outlined that allows the determination of one-dimensional stress gradients at length scales greater than 0.2 mm. By using standard four-circle X-ray diffractometer equipment and simple aperture components, length resolutions down to 0.05 mm in one direction can be achieved through constant orientation of a narrow, line-shaped beam spot. Angle calculations are given for the adjustment of goniometer angles, and for the effective azimuth and tilt of the scattering vector for general angle settings in a four-circle goniometer. The latter is necessary for the computation of stresses from lattice strain measurements.

Download Full-text

Synthesis, IR spectrum, thermal behaviour and crystal structure of a novel one-dimensional cyano-bridged zinc(II)/nickel(II) complex

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.220.1.74.58887 ◽

2005 ◽

Vol 220 (1) ◽

Cited By ~ 11

Author(s):

Ahmet Karadag ◽

Hümeyra Pasaoglu ◽

Gökhan Kastas ◽

Orhan Büyükgüngör

Keyword(s):

Crystal Structure ◽

Thermal Analysis ◽

Coordination Polymer ◽

Single Crystal ◽

Ir Spectrum ◽

Polymeric Chain ◽

X Ray Diffraction ◽

Bimetallic Complex ◽

One Dimensional ◽

X Ray

AbstractThe cyano-bridged heteronuclear coordination polymer of zinc(II)/nickel(II) has been prepared by N-(2-hydroxyethyl)-ethylendiamine (hydet-en), alternatively named 2-(2-aminoethylamino)-ethanol and characterised by IR and thermal analysis. In the bimetallic complex, the decomposition of hydet-en ligands is seen to be endothermic whereas that of the cyano ligands is found to be exothermic. The crystal structure of the complex has been determined by single-crystal X-ray diffraction. The crystal structure of the zinc(II)-nickel(II) complex consists of a one-dimensional polymeric chain –Zn(hydet-en)

Download Full-text

Polysulfonylamine, CXXV [1]. Neue Komplexe von Disulfonylaminen mit Kronenethern - im voraus entworfen oder zufällig entdeckt / Polysulfonylamines, CXXV [1]. New Complexes of Disulfonylam ines with Crown Ethers - Preconceived or Discovered by Serendipity

Zeitschrift für Naturforschung B ◽

10.1515/znb-2000-3-412 ◽

2000 ◽

Vol 55 (3-4) ◽

pp. 299-316 ◽

Cited By ~ 2

Author(s):

Dagmar Henschel ◽

Karna Wijaya ◽

Oliver Moers ◽

Armand Blaschette ◽

Peter G. Jones

Keyword(s):

Hydrogen Bonds ◽

X Ray Diffraction ◽

Ladder Structure ◽

Triclinic Space Group ◽

One Dimensional ◽

X Ray ◽

Bonding System ◽

Supramolecular Aggregate ◽

Guest Species ◽

The One

Abstract In a study aim ed at the „deconstruction“ of the supramolecular aggregate 3(18C6) · 2HN( SO2Me)2 (1,18C6 = 18-crown-6), which is known to display a ladder structure with two isotactic [18C6 - Me SO2N(H)SO2Me···)∞ polymers forming the uprights and symmetrically N - H···O bonded 18C6 rings providing the rungs, the following crystalline complexes were isolated and (except for 2b) characterized by low-temperature X-ray diffraction: 18C6-ClN (SO2Me)2 (2a, triclinic, space group P1̅, Z = 2), 18C6-PhN (SO2Me)2 (2b), 18C6 -MeN(SO2Me)2 (3, monoclinic, P21/c, Z = 8), Bz18C6-HN(SO2Me)2 (4, Bz18C6 = benzo-18-crown-6, monoclinic, P21/n, Z = 4), 18C6-2 MeN (SO2Me)2 (5, triclinic, P1̅, Z = 1), 18C6-Me2SO- HN( SO2Me) (SO2Ph) (13, triclinic, P1̅, Z = 2), and 18C6-H2OMe2SO·2HN(SO2Me)2 (14, triclinic, P1̅, Z = 2). Each of the one-dimensional polymers 2a (syndiotactic), 3 (disyndiotactic) and 4 (isotactic) mimics a single upright of 1; in contrast to 1 and 2a, where the intra-catemer connectivity solely relies on S - Me ··· crow n and crown ··· O = S hydrogen bonds, this bonding system is reinforced in 3 by N -Me ··· crown and in 4 by N - H ··· crown hydrogen bonds. Complex 5 is monomeric and matches a fragment formally extruded from the catemer 3; moreover, 3 and 5 represent a rare case of two structurally characterized 18C6 complexes containing the same uncharged guest species in distinct molecular ratios. The surprising structure of the quaternary adduct 14 exhibits an [18C6 ··· MeSO2N(H)SO2Me ··· ]∞ chain, which can be regarded both as an isolated, though unmodified upright from the ladder 1 and, being syndiotactic, as a stereochemical analogue of 2a; the potentially rung-forming *NH functions in the chain are blocked by hydrogenbonded side chains of the type * N - H ··· water ··· sulfoxide ··· H - N (SO2Me)2. The ternary complex 13 consists of chains [18C6 ··· Me2SO ··· H - N (SO2Ph)SO2Me···]∞ and is not closely related to the other structures

Download Full-text

Luminescent and magnetic bifunctional coordination complex based on a chiral tartaric acid derivative and europium

Acta Crystallographica Section C Structural Chemistry ◽

10.1107/s205322961901060x ◽

2019 ◽

Vol 75 (9) ◽

pp. 1220-1227 ◽

Cited By ~ 2

Author(s):

Mei-rong Han ◽

Shao-dong Li ◽

Ling Ma ◽

Bang Yao ◽

Si-Si Feng ◽

...

Keyword(s):

Tartaric Acid ◽

Complex I ◽

Coupling Parameter ◽

Chain Structure ◽

Magnetic Behaviour ◽

X Ray Diffraction ◽

One Dimensional ◽

X Ray ◽

Carboxylate Groups ◽

The Eu

A new mononuclear europium complex incorporating the (+)-di-p-toluoyl-D-tartaric acid (D-H2DTTA) ligand, namely, catena-poly[tris{μ2-3-carboxy-2,3-bis[(4-methylphenyl)carbonyloxy]propanoato}tris(methanol)europium(III)], [Eu(C20H17O8)3(CH3OH)3] n , (I), has been synthesized and characterized by IR spectroscopy, elemental analysis, powder X-ray diffraction and single-crystal X-ray diffraction analysis. The structure analysis indicates that complex (I) crystallizes in the trigonal space group R3 and exhibits an infinite one-dimensional chain structure, in which the Eu3+ ion is surrounded by six O atoms from six D-HDTTA− ligands and three O atoms from three coordinated methanol molecules, thus forming a tricapped trigonal prism geometry. The D-H2DTTA ligand is partially deprotonated and adopts a μ1,6-coordination mode via two carboxylate groups to link adjacent Eu3+ ions, affording an infinite one-dimensional propeller-shaped coordination polymer chain along the c axis, with an Eu...Eu distance of 7.622 (1) Å. Moreover, C—H...π interactions lead to the formation of helical chains running along the c axis and the whole structure displays a snowflake pattern in the ab plane. The circular dichroism spectrum confirms the chirality of complex (I). The solid-state photoluminescence properties were also investigated at room temperature and (I) exhibits characteristic red emission bands derived from the Eu3+ ion (CIE 0.63, 0.32), with a reasonably long lifetime of 0.394 ms, indicating effective energy transfer from the ligand to the metal centre. In addition, a magnetic investigation reveals single-ion magnetic behaviour. The spin-orbit coupling parameter (λ) between the ground and excited states is fitted to be 360 (2) cm−1 through Zeeman perturbation. Therefore, complex (I) may be regarded as a chiral optical-magneto bifunctional material.

Download Full-text

PREPARATION OF NICKEL NANOWIRES AND EFFECTS OF SYNTHESIS CONDITIONS ON THEIR MORPHOLOGY

Vietnam Journal of Science and Technology ◽

10.15625/2525-2518/57/3a/13945 ◽

2019 ◽

Vol 57 (3A) ◽

pp. 21

Author(s):

Minh Truong Xuan Nguyen ◽

Thu Thi Minh Bui ◽

Cuc Thi Le ◽

Linh Huu Nguyen ◽

Y Ngoc Pham ◽

...

Keyword(s):

Synthesis Process ◽

X Ray Diffraction ◽

One Dimensional ◽

X Ray ◽

Synthesis Conditions ◽

Nickel Nanowires ◽

Transmission Electron ◽

Experimental Parameters ◽

Polyol Medium ◽

Nickel Nanostructures

Nickel nanostructures prepared by various methods have received considerable attentions due to their numerous applications. In this study, one-dimensional nickel nanowires (NiNWs) were synthesized by the reduction of nickel (II) chloride in polyol medium. Poly (vinylpyrrolidone) (PVP) served as the surfactant and hydrazine hydrate was used as the reductant. The effects of different experimental parameters, i.e. concentration of Ni2+, volume of N2H4, concentration of PVP and reaction temperature on the formation and morphology of NiNWs were studied. The structure, composition and surface morphology of the materials were characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The results showed that the morphology as well as the diameter of NiNWs could be effectively controlled by adjusting parameters of the synthesis process.

Download Full-text

SOLVENT-FREE SYNTHESIS AND CRYSTAL STRUCTURE OF rac-2-THIOHYDANTOIN-VALINE

Periódico Tchê Química ◽

10.52571/ptq.v16.n31.2019.353_periodico31_pgs_347_352.pdf ◽

2019 ◽

Vol 16 (31) ◽

pp. 347-352

Author(s):

G. E. DELGADO ◽

Asiloé J. MORA ◽

T. GONZÁLEZ ◽

I. SANTOS ◽

P. RIVAS ◽

...

Keyword(s):

Heterocyclic Ring ◽

Solvent Free ◽

Monoclinic Space Group ◽

X Ray Diffraction ◽

Synthesis And Crystal Structure ◽

One Dimensional ◽

X Ray ◽

Dimensional Network ◽

Nmr Techniques ◽

Solvent Free Synthesis

Thiohydantoins have been used in the manufacture of medicines and in industrial processes. Depending on the nature and type of substitution on the heterocyclic ring, these compounds may display pharmaceutical and biological activity with a variety of applications as antiepileptic, antitumoral, antiinflammatory, and principally for the treatment of prostate cancer. In this study, a new thiohydantoin was synthetized from the valine amino acid and structurally characterized. The title compound, C6H10N2O2S, with systematic name rac-5-isopropyl-2-tioxoimidazolidin-4-one, has been synthetized by a solvent-free synthesis. The heterocyclic compound was characterized by spectroscopic infrared (FTIR) and nuclear magnetic resonance (NMR) techniques, powder and single-crystal X-ray diffraction analysis (XRD). This material crystallizes in the monoclinic space group P21/c. In the supramolecular structure, the molecules are joined by N- --H···O and N---H···S hydrogen bonds, forming centrosymmetric R2 2(8) dimers and C2 2(9) chains that run along the [001] direction in an infinite one-dimensional network.

Download Full-text

Influence of the Para-Substituent in Lanthanoid Complexes of Bistetrazole Substituted Calix[4]arenes

10.26434/chemrxiv.9255209 ◽

2019 ◽

Author(s):

Rene Z.H. Phe ◽

Brian Skelton ◽

Massimiliano Massi ◽

Mark Ogden

Keyword(s):

Structural Changes ◽

Cluster Formation ◽

Ammonium Cation ◽

Ammonium Salts ◽

X Ray Diffraction ◽

One Dimensional ◽

X Ray ◽

Mononuclear Complexes ◽

Scattering Measurements ◽

The Impact

5,11,17,23-Tetra-tert-butyl-25,27-dihydroxy-26,28-bis(tetrazole-5-ylmethoxy)calix[4]arene has been reported to form remarkable Ln19 and Ln12 elongated clusters, upon addition of aqueous ammonium carboxylates. The impact of the para substituent on lanthanoid cluster formation has been studied by synthesising two new bis-tetrazole calixarenes, with p-H, and p-allyl substituents. Solution phase dynamic light scattering measurements of the reaction mixtures indicated that clusters are not formed with the p-H and p-allyl derivatives, in contrast with the behaviour of the t-butyl analogue. Lanthanoid complexes of the p-H and p-allyl calixarenes were characterised by single crystal X-ray diffraction, and were found to form mononuclear complexes, linked to form a one-dimensional coordination polymer for the p-allyl system. All of the complexes were isolated as ammonium salts, with ammonium cation included in the calixarene cavity in most cases. It is concluded that the nature of the para substituent has a profound impact on the lanthanoid cluster formation process, and derivatives with more subtle structural changes will be required to determine if additional lanthanoid “bottlebrush” clusters can be isolated.

Download Full-text