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1.
Dominik Vítek Prof. Aleš Růžička Lise Vermeersch Dr. Libor Dostál Dr. Jan Turek Prof. Roman Jambor 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(70):e202202639
Reactivity studies of the GeII→B complex L(Cl)Ge⋅BH3 ( 1 ; L=2-Et2NCH2-4,6-tBu2-C6H2) were performed to determine the effect on the GeII→B donation. N-coordinated compounds L(OtBu)Ge⋅BH3 ( 2 ) and [LGe⋅BH3]2 ( 3 ) were prepared. The possible tuning of the GeII→B interaction was proved experimentally, yielding compounds 1-PPh2-8-(LGe)-C10H6 ( 4 ) and L(Cl)Ge⋅GaCl3 ( 5 ) without a GeII→B interaction. In 5 , an unprecedented GeII→Ga coordination was revealed. The experimental results were complemented by a theoretical study focusing on the bonding in 1 − 5 . The different strength of the GeII→E (E=B, Ga) donation was evaluated by using energy decomposition analysis. The basicity of different L(X)Ge groups through proton affinity is also assessed. 相似文献
2.
《Mendeleev Communications》2022,32(4):534-536
Correlation times and diffusion coefficients of water molecules were measured for the first time by 1H spin relaxation and pulsed field gradient NMR in Li+, Na+ and Cs+ ionic forms of Nafion 117 membrane. Hydration numbers of Li+, Na+ and Cs+ cations were calculated. It was shown that at high humidity macroscopic transfer is controlled by the local translational motion of water molecules. 相似文献
3.
Saqib Kamal Arif I. Inamdar Kuan-Ru Chiou Batjargal Sainbileg Muhammad Usman Jenq-Wei Chen Tzuoo-Tsair Luo Michitoshi Hayashi Chen-Hsiung Hung Wen-Feng Liaw Kuang-Lieh Lu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(30):e202103905
The dielectric properties of coordination polymers has been a topic of recent interest, but the role of different functional groups on the dielectric properties of these polymers has not yet been fully addressed. Herein, the effects of electron-donating (R=NH2) and electron-withdrawing (R=NO2) groups on the dielectric behavior of such materials were investigated for two thermally stable and guest-free Zn-based coordination polymers, [Zn(L1)(L2)]n ( 1 ) and [Zn(L1)(L3)]n ( 2 ) [L1=2-(2-pyridyl) benzimidazole (Pbim), L2=5-aminoisophthalate (Aip), and L3=5-nitroisophthalate (Nip)]. The results of dielectric studies of 1 revealed that it possesses a high dielectric constant (κ=65.5 at 1 kHz), while compound 2 displayed an even higher dielectric constant (κ=110.3 at 1 kHz). The electron donating and withdrawing effects of the NH2 and NO2 substituents induce changes in the polarity of the polymers, which is due to the inductive effect from the aryl ring for both NO2 and NH2. Theoretical results from density functional theory (DFT) calculations, which also support the experimental findings, show that both compounds have a distinct electronic behavior with diverse wide bandgaps. The significance of the current work is to provide information about the structure-dielectric property relationships. So, this study promises to pave the way for further research on the effects of different functional groups on coordination polymers on their dielectric properties. 相似文献
4.
5.
《Mendeleev Communications》2022,32(1):105-108
A mixed-metal 1D coordination polymer [CaCu(HBTC)2(H2O)8]n (where H3BTC – benzene-1,3,5-tric arboxylic acid) was obtained in a solvothermal synthesis of a well-known copper-containing metal–organic framework [Cu3(BTC)2(H2O)3]n (HKUST-1) in autoclaves 3D-printed from commercial polypropylene. This material was a source of calcium ions, apparently, leaking from a colorant (calcium carbonate) promoted by glacial acetic acid as a modulator used to produce large single crystals of HKUST-1. This finding was confirmed by elemental analysis and a model experiment that resulted in a new calcium-based 1D coordination polymer [Ca(H2BTC)2(H2O)5]n under the same solvothermal conditions with no copper or calcium salts put into a 3D-printed autoclave. 相似文献
6.
7.
A nonlinear time-domain simulation model for predicting two-dimensional vortex-induced vibration (VIV) of a flexibly mounted circular cylinder in planar and oscillatory flow is presented. This model is based on the utilization of van der Pol wake oscillators, being unconventional since wake oscillators have typically been applied to steady flow VIV predictions. The time-varying relative flow–cylinder velocities and accelerations are accounted for in deriving the coupled hydrodynamic lift, drag and inertia forces leading to the cylinder cross-flow and in-line oscillations. The system fluid–structure interaction equations explicitly contain the time-dependent and hybrid trigonometric terms. Depending on the Keulegan–Carpenter number (KC) incorporating the flow maximum velocity and excitation frequency, the model calibration is performed, entailing a set of empirical coefficients and expressions as a function of KC and mass ratio. Parametric investigations in cases of varying KC, reduced flow velocity, cylinder-to-flow frequency ratio and mass ratio are carried out, capturing some qualitative features of oscillatory flow VIV and exploring the effects of system parameters on response prediction characteristics. The model dependence of hydrodynamic coefficients on the Reynolds number is studied. Discrepancies and limitations versus advantages of the present model with different feasible solution scenarios are illuminated to inform the implementation of wake oscillators as a computationally efficient prediction model for VIV in oscillatory flows. 相似文献
8.
G. Peruginelli 《代数通讯》2018,46(11):4724-4738
We classify the maximal subrings of the ring of n×n matrices over a finite field, and show that these subrings may be divided into three types. We also describe all of the maximal subrings of a finite semisimple ring, and categorize them into two classes. As an application of these results, we calculate the covering number of a finite semisimple ring. 相似文献
9.
A (di)graph is supereulerian if it contains a spanning eulerian sub(di)graph. This property is a relaxation of hamiltonicity. Inspired by this analogy with hamiltonian cycles and by similar results in supereulerian graph theory, we analyze a number of sufficient Ore type conditions for a digraph to be supereulerian. Furthermore, we study the following conjecture due to Thomassé and the first author: if the arc‐connectivity of a digraph is not smaller than its independence number, then the digraph is supereulerian. As a support for this conjecture we prove it for digraphs that are semicomplete multipartite or quasitransitive and verify the analogous statement for undirected graphs. 相似文献
10.
The Effect of the Spacer of Bis(biurea) Ligands on the Structure of A2L3‐type (A=anion) Phosphate Complexes 下载免费PDF全文
Prof. Biao Wu Dr. Shaoguang Li Prof. Yibo Lei Prof. Huaiming Hu Dr. Nader de Sousa Amadeu Prof. Dr. Christoph Janiak Dr. Jennifer S. Mathieson Dr. De‐Liang Long Prof. Leroy Cronin Prof. Xiao‐Juan Yang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(6):2588-2593
By tuning the length and rigidity of the spacer of bis(biurea) ligands L, three structural motifs of the A2L3 complexes (A represents anion, here orthophosphate PO43?), namely helicate, mesocate, and mono‐bridged motif, have been assembled by coordination of the ligand to phosphate anion. Crystal structure analysis indicated that in the three complexes, each of the phosphate ions is coordinated by twelve hydrogen bonds from six surrounding urea groups. The anion coordination properties in solution have also been studied. The results further demonstrate the coordination behavior of phosphate ion, which shows strong tendency for coordination saturation and geometrical preference, thus allowing for the assembly of novel anion coordination‐based structures as in transition‐metal complexes. 相似文献