Scaling Behavior between Heat Capacity and Thermal Expansion in Solids

We experimentally analyze the heat capacity and thermal expansion of reference solids in a wide temperature range from several Kelvin to melting temperature,and establish a universal double-linear relation between the experimental heat capacity C_p and thermal expansion β,which is different from the previous models.The universal behavior between heat capacity and thermal expansion is important to predict the thermodynamic parameters at constant pressure,and is helpful for understanding the nature of thermal properties in solids.     

Iridium-Catalyzed Enantioselective Hydrogenation of Oxocarbenium Ions: A Case of Ionic Hydrogenation

Ionic hydrogenation has not been extensively explored, but is advantageous for challenging substrates such as unsaturated intermediates. Reported here is an iridium-catalyzed hydrogenation of oxocarbenium ions to afford chiral isochromans with high enantioselectivities. A variety of functionalities are compatible with this catalytic system. In the presence of a catalytic amount of the Brønsted acid HCl, an α-chloroether is generated in situ and subsequentially reduced. Kinetic studies suggest first-order kinetics in the substrate and half-order kinetics in the catalyst. A positive nonlinear effect, together with the half kinetic order, revealed a dimerization of the catalyst. Possible reaction pathways based on the monomeric iridium catalyst were proposed and DFT computational studies revealed an ionic hydrogenation pathway. Chloride abstraction and the cleavage of dihydrogen occur in the same step.     

One-step method for preparing the experimental pure state in nuclear magnetic resonance

Quantum computing is an emerging and promising research field in modern quantum physics and is committed to accelerating traditional calculation processes using the principle of quantum mechanics[1,2].Several computation models have been proposed,including the circuit model[3],topologic quantum computation[4],adiabatic quantum computing[5],and duality quantum computing[6-8].Universal quantum computation generally includes a system initialization,evolutionary control,and a final-state readout[9],where the preparation of the initial state is a key step in the entire process.     

Domino Radical Addition/Oxidation Sequence with Photocatalysis: One‐Pot Synthesis of Polysubstituted Furans from α‐Chloro‐Alkyl Ketones and Styrenes

A new domino reaction has been developed that allows the combination of styrenes and α‐alkyl ketone radicals to afford a wide array of polysubstituted furans in good to excellent yields under mild and simple reaction conditions. The key to success of this novel protocol is the use of photocatalyst fac‐Ir(ppy)₃ and oxidant K₂S₂O₈. Mechanistic studies by a radical scavenger and photoluminescence quenching suggest that a radical addition/oxidation pathway is operable.     

水质评价涉及的因子权重与定权方法

水质评价涉及属性权与熵权两种权重.熵权表征因子的分类能力,由因子的隶属度向量通过计算信息熵确定.属性权表征因子重要性程度的差异,用途是使不同因子的隶属度具有"可比性",但定权方法众说不一.指出,因子重要性程度差异源于因子属性与因子取值无关,并且表征这种差异等同于对因子接重要性排序.AHP的比例标度判断矩阵为因子排序提供了合理的数据条件,但基于"一致性检验"的特征根排序法受到质疑;FAHP也因没有彻底摆脱"一致性",所以建立的排序方法有局限性.为此,通过标度变换将比例标度转化为评分标度,利用评分标度的可加性把判断矩阵中由评分标度确定的因子的序关系转化为因子排序.由此建立不受"一致性"干扰的定权方法.     

Visible‐light photocatalytic activity of Ag@MIL‐125(Ti) microspheres

Ag nanoparticle (NP)‐decorated MIL‐125(Ti) microspheres (Ag@MIL‐125(Ti)) were firstly fabricated via a facile hydrothermal and following photo‐reduction method. The photocatalysts were characterized using X‐ray diffraction, scanning and transmission electron microscopies, X‐ray photoelectron spectroscopy and UV–visible diffuse reflectance spectroscopy. The characterization results indicated that Ag NPs were dispersed on the surface of MIL‐125(Ti) microspheres, and the Ag NPs had a uniform diameter of about 40 nm. The composites exhibited excellent visible‐light absorption, due to the modification with the Ag NPs. The photocatalytic activity for the visible‐light‐promoted degradation of Rhodamine B was improved through the optimization of the amount of Ag loaded as a co‐catalyst, this amount being determined as 3 wt%. Additionally, studies performed using radical scavengers indicated that O₂^? and e^? served as the main reactive species. The catalyst can be reused at least five times without significant loss of its catalytic activity. Furthermore, a photocatalytic mechanism for degradation of organics over Ag@MIL‐125(Ti) is also proposed. Copyright © 2015 John Wiley & Sons, Ltd.