Synthesis and Structure of a New Ruthenium(II) Clathrochelate and the Use of a Highly Porous Ceramic Material with an Immobilized Complex in the Oxidative Conversion of Methane

Kinetics and Catalysis - A new ruthenium(II) cage complex with polar terminal groups in the apical substituents has been synthesized; the molecular design of the complex contributes to the...     

Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

Effect of Irradiation Absorbed Dose and Organic Solvent on the Grafting Rate of PVDF-g-PHEMA through Gamma-ray Irradiation in a Homogenous Solution

High Energy Chemistry - Modification of Polyvinylidene fluoride (PVDF) by radiation grafting is a research hotspot in recent years. In this study, the monomer 2-Hydroxyethyl methacrylate (HEMA) was...     

Functional Groups Assisted Tunable Dielectric Permittivity of Guest-Free Zn-Based Coordination Polymers for Gate Dielectrics

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.     

Synthesis and Some Properties of Tungstophosphatozincates and Their Thermolysis Products

Russian Journal of General Chemistry - Tungstophosphatozincates with the Keggin anion structure Kt5[PW11O39Zn(H2O)]?nH2O, Kt = Rb+, Cs+, (CH3)4N+; (C2H5)4N+ were synthesized. Their...     

High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

Developing Flexible Quinacridone-Derivatives-Based Photothermal Evaporaters for Solar Steam and Thermoelectric Power Generation

Solar-driven interfacial vaporization by localizing solar-thermal energy conversion to the air−water interface has attracted tremendous attention. In the process of converting solar energy into heat energy, photothermal materials play an essential role. Herein, a flexible solar-thermal material di-cyan substituted 5,12-dibutylquinacridone (DCN−4CQA)@Paper was developed by coating photothermal quinacridone derivatives on the cellulose paper. The DCN−4CQA@Paper combines desired chemical and physical properties, broadband light-absorbing, and shape-conforming abilities that render efficient photothermic vaporization. Notably, synergetic coupling of solar-steam and solar-electricity technologies by integrating DCN−4CQA@Paper and the thermoelectric devices is realized without trade-offs, highlighting the practical consideration toward more impactful solar heat exploitation. Such solar distillation and low-grade heat-to-electricity generation functions can provide potential opportunities for fresh water and electricity supply in off-grid or remote areas.     

A Note on Quantum Bell Nonlocality and Quantum Entanglement for High Dimensional Quantum Systems

We study the Bell nonlocality of high dimensional quantum systems based on quantum entanglement. A quantitative relationship between the maximal expectation value B of Bell operators and the quantum entanglement concurrence C is obtained for even dimension pure states, with the upper and lower bounds of B governed by C.