Synthesis, crystal structure and Hirshfeld surface analysis of 1-ferrocenylundecane-1,11-diol

The racemic title compound, [Fe(C5H5)(C16H27O2)], comprises an α,ω-diol-substituted undecyl chain with a ferrocenyl substituent at at one terminus. The alkane chain is inclined to the substituted ring of the ferrocene grouping by 84.22 (13)°. The ferrocene rings are almost eclipsed and parallel. The crystal structure features O—H...O and C—H...O hydrogen bonds and C—H...π contacts that stack the molecules along the c-axis direction. A Hirshfeld surface analysis reveals that H...H interactions (83.2%) dominate the surface contacts.

Crystal structures and Hirshfeld surface analyses of bis(4,5-dihydrofuran-2-yl)dimethylsilane and (4,5-dihydrofuran-2-yl)(methyl)diphenylsilane

The title compounds, C10H16O2Si (1) and C17H18OSi (2), are classified as dihydrofurylsilanes, which show great potential as building blocks for various functionalized silanes. They both crystallize in the space group P\overline{1} in the triclinic crystal system. Analyses of the Hirshfeld surfaces show packing-determining interactions for both compounds, resulting in a polymeric chain along the [011] for silane 1 and a layered-interconnected structure along the b-axis direction for silane 2.

Synthesis, crystal structure and thermal properties of bis(1,3-dicyclohexylthiourea-κS)bis(isothiocyanato-κN)cobalt(II)

Crystals of the title compound, [Co(NCS)2(C13H24N2S)2], were obtained by the reaction of Co(NCS)2 with 1,3-dicyclohexylthiourea in ethanol. Its crystal structure consists of discrete complexes that are located on twofold rotation axes, in which the CoII cations are tetrahedrally coordinated by two terminal N-bonded thiocyanate anions and two 1,3-dicyclohexylthiourea ligands. These complexes are linked via intermolecular N—H...S and C—H...S hydrogen bonding into chains, which elongate in the b-axis direction. These chains are closely packed in a pseudo-hexagonal manner. The CN stretching vibration of the thiocyanate anions located at 2038 cm−1 is in agreement with only terminal bonded anionic ligands linked to metal cations in a tetrahedral coordination. TG–DTA measurements prove the decomposition of the compound at about 227°C. DSC measurements reveal a small endothermic signal before decomposition at about 174°C, which might correspond to melting.

Simulation Of the Conical Gravitational Water Vortex Turbine (GWVT) Design in Producing Optimum Force for Energy Production

Sustainable electricity power supply is crucial especially for less populated rural area. Micro hydropower generation in rural area is important in providing electricity especially in off-grid electricity area. This study aims to predict and harness power from micro hydropower generation through conical gravitational water vortex turbine (GWVT) via SOLIDWORKS flow simulation. Conical GWVT under study was designed as fully enclosed system with conical turbine basin. Two different turbine orientations were simulated i.e., vertical and horizontal at different blade angle designs i.e., 25°, 45°, 75°, 90°, and 120° and with different number of blades i.e., 8, 12, and 18 while forces were harnessed at tangential (z-axis) direction. The simulation results showed that it was possible to run and produce force from conical GWVT design in a fully enclosed system. It was found that vertical turbine orientation produced a slightly higher force than horizontally orientated turbine, using 12 runner blades at 90° angles where the distributed forces were 15.31N and 14.12N respectively, at tangential (z-axis) direction. The results are useful to predict turbine’s torque for small capacity micro hydropower electricity generation prior to actual conical GWVT set up, in rural area, to minimise cost implication and construction issues.

Zero thermal expansion in metal-organic framework with imidazole dicarboxylate ligands

Exploring new abnormal thermal expansion materials is important to understand the nature of thermal expansion. Metal-Organic Framework (MOF) with unique structure flexibility is ideal material to study the thermal expansion. This work adopts the high-resolution variable-temperature powder X-ray diffraction to investigate the structure and intrinsic thermal expansion in Sr-MOF ([Sr(DMPhH2IDC)2]n). It has the unique honeycomb structure with 1D channels along c-axis direction, the a-b plane displays layer structure. The thermal expansion behavior has strong relationship with the structure, ZTE appears in the a-b plane and large PTE along c-axis direction. The possible mechanism is that the a/b layers have enough space for the transverse thermal vibration of polydentate ligands, while along the c-axis direction is not. This work not only reports one interesting zero thermal expansion material, but also provides new understand for thermal expansion mechanism from the perspective of structural model.