Inorganics

Resistance spot welding of Ti40Zr25Ni3Cu12Be20 bulk metallic glass: experiments and finite element m
The use of resistance spot welding (RSW) technology for joining Ti40Zr25Ni3Cu12Be20 metallic glass was investigated. The microstructure obtained from the welded BMG sample was studied. Joint without precipitates was prepared with welding current of 5.0 kA for 2 cycles. A fully coupled thermal–electrical–mechanical finite element model (FEM) was developed to complement the experimental stud...


Determination of vanadyl sulfate ion-pair dissociation constant at 298.15 K by Fuoss method
Vanadium battery has fast and large capacity charge and discharge characteristics, and the concentration and stability of the battery electrolyte are the key to the electrolyte performance. In actual, with higher acidity and higher concentration of the vanadium battery electrolyte, the ion-pair is dominant. The ion-pair dissociation constant is one of the important thermodynamic data related to...
Inorganic control on original carbonate mineralogy and creation of gas reservoir of the Upper Jurassic carbonates in the Kopet-Dagh Basin, NE, Iran
The Upper Jurassic Mozduran Formation (Oxfordian–Tithonian) is the main petroleum reservoir in the Kopet-Dagh Basin, northeast Iran, which consists predominantly of carbonate rocks with subordinate evaporites and siliciclastics deposited in platform to deep marine settings of a subtropical sea. Detailed field surveys, petrographic investigations, facies and wire line log analyses were carried...


Graphene Nanoarchitectonics: Approaching the Excellent Properties of Graphene from Microscale to Macroscale
As a single layer of graphite, graphene has been widely explored for its potential applications in many fields, such as electronics, energy storage, sensors, actuators, and composite materials. To achieve these purposes, assembling graphene nanosheets into macroscale bulk is indispensable. However, the prepared graphene materials at macroscale generally demonstrated a much lower performance in ...
More about systematic errors in charge-density studies
In order to detect and graphically visualize the absence or presence of systematic errors in fit data, conditional probabilities are employed to analyze the statistical independence or dependence of fit residuals. This concept is completely general and applicable to all scientific fields in which model parameters are fitted to experimental data. The applications presented in this work refer to ...


Analysis of multicrystal pump–probe data sets. I. Expressions for the RATIO model
The RATIO method in time-resolved crystallography [Coppens et al. (2009). J. Synchrotron Rad.16, 226–230] was developed for use with Laue pump–probe diffraction data to avoid complex corrections due to wavelength dependence of the intensities. The application of the RATIO method in processing/analysis prior to structure refinement requires an appropriate ratio model for modeling the light r...
Hirshfeld atom refinement for modelling strong hydrogen bonds
High-resolution low-temperature synchrotron X-ray diffraction data of the salt L-phenylalaninium hydrogen maleate are used to test the new automated iterative Hirshfeld atom refinement (HAR) procedure for the modelling of strong hydrogen bonds. The HAR models used present the first examples of Z′ > 1 treatments in the framework of wavefunction-based refinement methods. L-Phenylalaninium hydro...

Radial spacing distributions from planar point sets
This paper explores the radial projection method for locally finite planar point sets and provides numerical examples for different types of order. The main question is whether the method is suitable to analyse order in a quantitative way. The findings indicate that the answer is affirmative. In this context, local visibility conditions are also studied for certain types of aperiodic point sets...
Structural variation in silver(I) complexes with pyridazine ligand and aromatic polycarboxylic acids: Structural analysis with silver chains
To systematically explore the influence of pyridazine ligands and aromatic polycarboxylate on the existence of argentophilicity, four inorganic–organic hybrid Ag(I) complexes were obtained by one-pot ultrasonic reaction. Four complexes were named [Ag6(pdz)2(btc)2] n (1), [Ag2(pdz)(npt)] n , [Ag2(pdz)(pma)1/2] n , and [Ag2(pdz)(npa)·H2O] n (pdz=pyridazine, H3btc=1,3,5-benzene tricarboxyli...

Assemblies of meso-metallosupermolecules from tetrahedral metallohelicate units: Syntheses, structures, and fluorescence
Four new complexes, namely [Cd(H2L)I2]·2CH3OH (1), [Zn(HL)2] , [Zn(H2L)(TPA)] n ·2nDMF·2nH2O and [Zn(H2L)(IPA)] n ·1.5nH2O , were synthesized through the self-assembly reactions of transition metals Cd(II) and Zn(II) with a flexible bis(benzimidazole) ligand H2L (H2L=1,2-bis((1H-benzo[d]imidazol-2-yl)methyl)benzene, TPA=terephthalate, IPA=isophthalate, and DMF=N,N-dimethylformamide). In all...
Unusual solvent influence of formamide on the structural variations of chiral and achiral Mn(II) complexes based on tetrachlorophthalate
Using an achiral ligand 3,4,5,6-tetrachloro-1,2-benzenedicarboxylic acid (1,2-H2BDC-Cl4), a short series of chiral or achiral manganese(II) complexes with the formulae [Mn(1,2-BDC-Cl4)(MF)2(H2O)2] n (1), [Mn(1,2-BDC-Cl4)(DMF)(H2O)2] n and [Mn2(1,2-BDC-Cl4)2(DEF)2(H2O)6]·2H2O (MF= N-methylformamide; DMF= N,N-dimethylformamide and DEF= N,N-diethylformamide) have been spontaneously obtained thr...

A new naphthalene-containing triazolophane for fluorescence sensing of mercury(II) ion
A new naphthalene-containing macrocyclic triazole (1) and its acyclic compared compound have been synthesized and characterized. In acetonitrile and acetonitrile aqueous solutions, 1 and 2 showed good fluorescence sensing ability to Hg2+ over other metal ions, with 1 exhibiting better sensitivity and selectivity than 2 owing to its macrocyclic effect. 1H NMR titrations and DFT calculation resul...
Control of copper particles deposition in mesoporous SBA-15 silica by modified CVD method
Copper supported SBA-15 catalysts were prepared by modified Organometallic Chemical Vapor Deposition (OMCVD) technique. The materials were characterized by nitrogen physisorption, XRD, TEM, UV–Vis, XPS and temperature programmed reduction. Catalytic reductions of NO with CO and with a mixture of CO and methane as well as methanol decomposition were used as catalytic tests. The modified OMCVD ...
Two-level hierarchical entangled framework in a novel copper(I) coordination polymer with multiform helical features and unprecedented self-penetrated subnet
One new copper(I) cyanide coordination polymer [Cu4(CN)4(tib)] n (1) (tib=1,3,5-tris(1-imidazolyl)benzene) has been solvothermally synthesized through a synchronous redox and self-assembly reaction of copper(II) utilized as starting material, and characterized by elemental analysis, FT-IR, PXRD and single-crystal X-ray diffraction. The result shows complex 1 possesses a novel two-level hierarc...
A dynamic metal–organic supramolecular host based on weak π-stacking interactions incorporating 2D water-chloride-methanolic supramolecular sheet
Herein, we report the formation of a unique water-chloride-methanol 2D supramolecular network within the hydrophobic interlayer cavities of a novel flexible metal–organic supramolecular host (MOSH) framework formed by π-induced self-assembly of the monomeric metal–organic complex [Pr(1,10-phen)2(H2O)5]Cl3(H2O)(CH3OH) (1,10-phen=1,10-phenanthroline) (complex 1). Single crystal X-ray diffrac...