scholarly journals Complex Uranyl Dichromates Templated by Aza-Crowns

Crystals ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 462 ◽  
Author(s):  
Oleg Siidra ◽  
Evgeny Nazarchuk ◽  
Dmitry Charkin ◽  
Stepan Kalmykov ◽  
Anastasiya Zadoya
Keyword(s):  
Aqueous Solutions ◽  
Crown Ethers ◽  
Room Temperature ◽  
Organic Molecules ◽  
Negative Charge ◽  
Uranyl Compounds ◽  
One Dimensional ◽  
Chain Complexes ◽  
Aza Crown Ethers

Three new uranyl dichromate compounds templated by aza-crown templates were obtained at room temperature by evaporation from aqueous solutions: (H2diaza-18-crown-6)2[(UO2)2(Cr2O7)4(H2O)2](H2O)3 (1), (H4[15]aneN4)[(UO2)2(CrO4)2(Cr2O7)2(H2O)] (H2O)3.5 (2) and (H4Cyclam)(H4[15]aneN4)2[(UO2)6(CrO4)8(Cr2O7)4](H2O)4 (3). The use of aza-crown templates made it possible to isolate unprecedented and complex one-dimensional units in 2 and 3, whereas the structure of 1 is based on simple uranyl-dichromate chains. It is very likely that the presence of relatively large organic molecules of aza-crown ethers does not allow uranyl chromate chain complexes to condense into the units of higher dimensionality (layers or frameworks). In general, the formation of 1, 2, and 3 is in agreement with the general principles elaborated for organically templated uranyl compounds. The negative charge of the [(UO2)(Cr2O7)2(H2O)]2−, [(UO2)2(CrO4)2(Cr2O7)2(H2O)]4− and [(UO2)3(CrO4)4(Cr2O7)2]6− one-dimensional inorganic motifs is compensated by the protonation of all nitrogen atoms in the molecules of aza-crowns.

scholarly journals Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Lokamani ◽  
Jeffrey Kelling ◽  
Robin Ohmann ◽  
Jörg Meyer ◽  
Tim Kühne ◽  
...  
Keyword(s):  
High Throughput ◽  
Energy Function ◽  
Organic Molecules ◽  
Molecular Wires ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Intermolecular Interaction Energy ◽  
One Dimensional ◽  
Coverage Density ◽  
Clustering Approach

AbstractDue to the low corrugation of the Au(111) surface, 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) molecules can form quasi interlocked lateral patterns, which are observed in scanning tunneling microscopy experiments at low temperatures. We demonstrate a multi-dimensional clustering approach to quantify the anisotropic pair-wise interaction of molecules and explain these patterns. We perform high-throughput calculations to evaluate an energy function, which incorporates the adsorption energy of single PEEB molecules on the metal surface and the intermolecular interaction energy of a pair of PEEB molecules. The analysis of the energy function reveals, that, depending on coverage density, specific types of pattern are preferred which can potentially be exploited to form one-dimensional molecular wires on Au(111).

Crystal structure of the anticancer drug carmustine determined by X-ray powder diffraction

2021 ◽  
pp. 1-3
Author(s):  
Carina Schlesinger ◽  
Edith Alig ◽  
Martin U. Schmidt
Keyword(s):  
Crystal Structure ◽  
Anticancer Drug ◽  
Powder Diffraction ◽  
Room Temperature ◽  
Powder Diffraction Data ◽  
Orthorhombic Space Group ◽  
Commercial Sample ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bond Pattern

The structure of the anticancer drug carmustine (1,3-bis(2-chloroethyl)-1-nitrosourea, C5H9Cl2N3O2) was successfully determined from laboratory X-ray powder diffraction data recorded at 278 K and at 153 K. Carmustine crystallizes in the orthorhombic space group P212121 with Z = 4. The lattice parameters are a = 19.6935(2) Å, b = 9.8338(14) Å, c = 4.63542(6) Å, V = 897.71(2) ų at 153 K, and a = 19.8522(2) Å, b = 9.8843(15) Å, c = 4.69793(6) Å, V = 921.85(2) ų at 278 K. The Rietveld fits are very good, with low R-values and smooth difference curves of calculated and experimental powder data. The molecules form a one-dimensional hydrogen bond pattern. At room temperature, the investigated commercial sample of carmustine was amorphous.

A new one-dimensional CdIIcoordination polymer with a two-dimensional layered structure incorporating 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole and benzene-1,2-dicarboxylate ligands

2016 ◽  
Vol 72 (6) ◽  
pp. 480-484 ◽  
Author(s):  
Qiu-Ying Huang ◽  
Xiao-Yi Lin ◽  
Xiang-Ru Meng
Keyword(s):  
Layered Structure ◽  
Room Temperature ◽  
Weak Interactions ◽  
Coordination Geometry ◽  
Dimensional Chain ◽  
Two Dimensional ◽  
One Dimensional ◽  
Heterocyclic Ligand ◽  
Rich Variety ◽  
Solvent Molecules

The N-heterocyclic ligand 2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole (imb) has a rich variety of coordination modes and can lead to polymers with intriguing structures and interesting properties. In the coordination polymercatena-poly[[cadmium(II)-bis[μ-benzene-1,2-dicarboxylato-κ4O1,O1′:O2,O2′]-cadmium(II)-bis{μ-2-[(1H-imidazol-1-yl)methyl]-1H-benzimidazole}-κ2N2:N3;κ2N3:N2] dimethylformamide disolvate], {[Cd(C8H4O4)(C11H10N4)]·C3H7NO}n, (I), each CdIIion exhibits an irregular octahedral CdO4N2coordination geometry and is coordinated by four O atoms from two symmetry-related benzene-1,2-dicarboxylate (1,2-bdic2−) ligands and two N atoms from two symmetry-related imb ligands. Two CdIIions are connected by two benzene-1,2-dicarboxylate ligands to generate a binuclear [Cd2(1,2-bdic)2] unit. The binuclear units are further connected into a one-dimensional chain by pairs of bridging imb ligands. These one-dimensional chains are further connected through N—H...O hydrogen bonds and π–π interactions, leading to a two-dimensional layered structure. The dimethylformamide solvent molecules are organized in dimeric pairsviaweak interactions. In addition, the title polymer exhibits good fluorescence properties in the solid state at room temperature.

Polar Optical Phonon Instability and Intervalley Transfer in Gallium Nitride

1998 ◽  
Vol 512 ◽  
Author(s):  
B. E. Foutz ◽  
S. K. O'leary ◽  
M. S. Shur ◽  
L. F. Eastman ◽  
B. L. Gelmont ◽  
...  
Keyword(s):  
Gallium Nitride ◽  
Analytical Model ◽  
Optical Phonon ◽  
Room Temperature ◽  
Phonon Scattering ◽  
Polar Optical Phonon ◽  
Scattering Mechanism ◽  
Loss Mechanism ◽  
One Dimensional ◽  
Optical Phonon Scattering

ABSTRACTWe develop a simple, one-dimensional, analytical model, which describes electron transport in gallium nitride. We focus on the polar optical phonon scattering mechanism, as this is the dominant energy loss mechanism at room temperature. Equating the power gained from the field with that lost through scattering, we demonstrate that beyond a critical electric field, 114 kV/cm at T = 300 K, the power gained from the field exceeds that lost due to polar optical phonon scattering. This polar optical phonon instability leads to a dramatic increase in the electron energy, this being responsible for the onset of intervalley transitions. The predictions of our analytical model are compared with those of Monte Carlo simulations, and are found to be in satisfactory agreement.

scholarly journals Supramolecular Frameworks Based on Rhenium Clusters Using the Synthons Approach

Molecules ◽  
2021 ◽  
Vol 26 (9) ◽  
pp. 2662
Author(s):  
Nathalie Audebrand ◽  
Antoine Demont ◽  
Racha El Osta ◽  
Yuri V. Mironov ◽  
Nikolay G. Naumov ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Crystal Structures ◽  
Ligand Exchange ◽  
Alkaline Earth ◽  
Room Temperature ◽  
Hydration Rate ◽  
Rhenium Cluster ◽  
New Compounds ◽  
Cluster Unit

The reaction of the K4[{Re6Si8}(OH)a6]·8H2O rhenium cluster salt with pyrazine (Pz) in aqueous solutions of alkaline or alkaline earth salts at 4 °C or at room temperature leads to apical ligand exchange and to the formation of five new compounds: [trans-{Re6Si8}(Pz)a2(OH)a2(H2O)a2] (1), [cis-{Re6Si8}(Pz)a2(OH)a2(H2O)a2] (2), (NO3)[cis-{Re6Si8}(Pz)a2(OH)a(H2O)a3](Pz)·3H2O (3), [Mg(H2O)6]0.5[cis-{Re6Si8}(Pz)a2(OH)a3(H2O)a]·8.5H2O (4), and K[cis-{Re6Si8}(Pz)a2(OH)a3(H2O)a]·8H2O (5). Their crystal structures are built up from trans- or cis-[{Re6Si8}(Pz)a2(OH)a4−x(H2O)ax]x−2 cluster units. The cohesions of the 3D supramolecular frameworks are based on stacking and H bonding, as well as on H3O2−bridges in the cases of (1), (2), (4), and (5) compounds, while (3) is built from stacking and H bonding only. This evidences that the nature of the synthons governing the cluster unit assembly is dependent on the hydration rate of the unit.

scholarly journals Ein Wasserstoffisotopieeffekt im CuSO4 * 5H2O

1969 ◽  
Vol 24 (10) ◽  
pp. 1502-1511
Author(s):  
Karl Heinzinger
Keyword(s):  
Water Vapor ◽  
Aqueous Solutions ◽  
Separation Factor ◽  
Room Temperature ◽  
Copper Ion ◽  
Hydrogen Isotopes ◽  
Bulk Water ◽  
Water Molecules ◽  
Hydration Water ◽  
Sulfate Solutions

Abstract There are two kinds of water in CuSO4·5H2O differing by their binding in the crystal. The oxygen of four water molecules is bonded to the copper ion, that of the fifth molecule is hydrogen bonded. It is shown that the D/H ratios of these two kinds of water differ by 5.7%, the light isotope being enriched in the water molecules coordinated with the copper ion. The results show that there is no exchange of the hydrogen isotopes during the time needed for dehydration at room temperature which takes several days. The assumption has been confirmed that the water coordinated with the copper ion leaves the crystal first on dehydration at temperatures below 50 °C. Additional measurements of the separation factor for the hydrogen isotopes between water vapor and copper sulfate solutions allow conclusions on the fractionation of the hydrogen isotopes between bulk water and hydration water in aqueous solutions.

scholarly journals Evaluation of temporal, seasonal and geographic stability of the molluscicidal property of Euphorbia splendens latex

1992 ◽  
Vol 34 (3) ◽  
pp. 183-191 ◽  
Author(s):  
Virginia Torres Schall ◽  
Mauricio Carvalho de Vasconcellos ◽  
Ana Luiza Villaça-Coelho ◽  
Fátima Eliana Ferreira-Lopes ◽  
Ivonise Paz da Silva
Keyword(s):  
Aqueous Solutions ◽  
Laboratory Tests ◽  
Large Scale ◽  
Room Temperature ◽  
Tropical Climate ◽  
Wide Distribution ◽  
Promising Material ◽  
Active Principle ◽  
Reference Substance ◽  
Belo Horizonte

Laboratory tests with aqueous solutions of Euphorbia splendens var. hislopii latex have demonstrated seasonal stability of the molluscicidal principle, with LD90 values of 1.14 ppm (spring), 1.02 ppm (fall), 1.09 ppm (winter), and 1.07 ppm (summer) that have been determined against Biomphalaria tenagophila in the field. Assays on latex collected in Belo Horizonte and Recife yielded LD90 values similar to those obtained with the reference substance collected in Rio de Janeiro (Ilha do Governador), demonstrating geographic stability of the molluscicidal effect. The molluscicidal action of aqueous dilutions of the latex in natura, centrifuged (precipitate) and lyophilized, was stable for up to 124 days at room temperature (in natura) and for up to 736 days in a common refrigerator at 10 to 12ºC (lyophilized product). A 5.0 ppm solution is 100% lethal for snails up to 13 days after preparation, the effect being gradually lost to almost total inactivity by the 30th day. This observation indicated that the active principle is instable. These properties together with the wide distribution of the plant, its resistance and adaptation to the tropical climate, its easy cultivation and the easy obtention of latex and preparation of the molluscicidal solution, make this a promising material for large-scale use in the control of schistosomiasis

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