旋转盘电极调制电势库仑法研究

Anson等人曾经用悬汞电极上的双电势阶跃计时库仑法研究Cd(Ⅱ)的诱导吸附.本文用旋转盘电极的调制电势仑法分别测量电化学反应过程中产生的溶解中间物和吸附中间物. 原理假设有一个在含有支持电解质及一种氧化剂O_x(或还原剂R)的溶液中旋转的盘电极,当电极电势为使O_x还原为R(或R氧化为O_x)的E_i时,发生反应     

甲酸在铂上电氧化的吸附中间物和机理的研究

根据pH对(甲酸+甲酸钠)/Pt体系的循环伏安图的图形和峰电位。甲酸/Pt和一氘代甲酸(DCOOH)/Pt循环伏安图的对比,以及in situ甲酸预吸附的实验,表明甲酸是通过O—H键的断裂而在铂表面上发生解离吸附,生成中间物HCOO_(2d)。在铂表面上,HCOO_(2d)可呈多种吸附态。甲酸的正常电氧化(即不考虑强吸附中间物的形成和氧化)是按反应序列(3)进行的。     

流体熵相关性质的Monte Carlo模拟新方法

提出了用于计算实际体系熵相关性质的Monte Carlo多级取样分子模拟方法. 应用这一方法, 对硬球流体的化学势及Helmholtz自由能进行了估算, 得到了满意的结果. 计算化学势时, 不存在通常试验粒子方法所遇到的高密度问题. 该方法特别适合规律性的系统研究, 较之普通模拟方法要有效得多. 模拟得到的硬球体系无限稀释组份的超额化学势与对比直径的关系, 在相变区域为一条双凹曲线; 无论是在相变区还是在单相区, Carnahan-Starling公式对这一关系的描述均有较大偏差.     

STUDY OF Cu-Mu CATALYST FOR THE SYNTHESIS OF METHYL FORMATE AND METHANOL FROM SYNTHESIS GAS

将一种新型的ＣｕＭｎ催化剂用于由合成气合成甲酸甲酯和甲醇，该催化剂表现出良好的反应活性和甲酸甲酯选择性。考察了反应温度、合成气压力及催化剂制备方法等对合成甲酸甲酯和甲醇的反应活性及选择性的影响。在反应条件下，产物收率最高达６０．１０ｇ／（Ｌ·ｈ），产物甲酸甲酯的选择性很高。用ＢＥＴ、ＸＲＤ及ＸＰＳＡｕｇｅｒ等测试方法对催化剂的比表面、晶相组成以及铜、锰在催化剂中的价态进行了表征，并探讨了催化剂失活的原因。     

CuO-BaO/SiO2催化剂的结构表征

以XRD、XPS和EXAFS手段对CuO－BaO／Sic2催化剂及其还原态的结构进行了研究．结果表明，在CuO－BaO／SiO2体系中铜和钡都是以氧化态的形式存在，超细SiO2载体对所负载的CuO的结构有影响．随着样品负载量的逐渐降低，Cu－O和Cu－Cu睡的健长和配位数逐渐征小，而且低载量样品的健长和配位数减小的幅度最大．在总负载量＞13．39％的样品中，CuO以晶相的形式存在；总负载量＜13．39％的样品中，CUO呈现单层分布的高分出状态．还原态样品中钢以本价铜的形式存在，随负载量的降低，还原态Cu－Cu健的镇长和配位数也分别呈现出逐渐减小的趋势．还原态中心铜原子在催化剂表面的分布状态基本上保持了氧化态催化剂中CuO物相的分市状态．     

可逆反应的热静力学研究法

化学反应的焓变△H和平衡常数K的测定是热静力学研究的重要任务。通常用量热法可以此较准确地测定△H,但要从量热数据直接得到K则是在六十年代初才开始有所探索。在达方面,Drago和Christensen的工作是值得借鉴的。本文建立了一种中性配位体与一价金属离子络合反应体系的热静力学研究法,并用这种方法研究了二苯并18-冠-6与Na~+的络合反应,同时得到了反应的△H和平衡常数K。实验值与文献值符合。     

关于氧化锌—二氧化硅表面结构和表面酸性的补充研究

我们管报道浸渍法制备的ZnO/SiO_2的表面酸性和表面结构。证明:(1) ZnO单层分散在硅胶表面,分散阔值为～0.22gZnO/100m~2SiO_2;(2) 样品表面出现了单独的ZnO与SiO_2所没有的较强酸位并且其酸量与ZnO表面浓度有很好的对应关系。由此提出了ZnO与SiO_2表面相互作用形成了某种酸性结构单元的观点。Sumiyoshi,Tanabe等曾报道,用共沉淀法制取的ZnO-SiO_2表面酸性显著。认为酸性的根源是ZnO与SiO_2间形成了田部(K.Tanabe)模型所预示的那种二氧化物,结构中     

Study on the nature of interaction of BrCl with HF,H2O,and NH3

By counterpoise‐corrected optimization method, the interactions of BrCl with the first‐row hydrides (HF, H₂O, NH₃) have been investigated at the MP2/6–311++G(3d,3p) level. To understand that the X? Br‐type (X = F, O, N) structure is more stable than the corresponding hydrogen‐bonded structure in these complexes, the electronic properties were also investigated. Symmetry‐adapted perturbation theory (SAPT) analysis has been carried out to understand the nature of the weak hydrogen bond and X? Br‐type interactions. On the other hand, for the weak hydrogen‐bonded complexes and the X? Br‐type complexes charges transfer is well correlated with the total induction energies. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Simultaneously achieving high capacity storage and multilevel anti-counterfeiting using electrochromic and electrofluorochromic dual-functional AIE polymers

With the advent of the big data era, information storage and security are becoming increasingly important. However, high capacity information storage and multilevel anti-counterfeiting are typically difficult to achieve simultaneously. To address this challenge, herein, two electrochromic and electrofluorochromic dual-functional polymers with aggregation-induced emission (AIE) characteristics were rationally designed and facilely prepared. Upon applying voltages, the absorption and fluorescence spectra of the AIE polymers can undergo reversible changes, accompanied by variation of their color and emission. By utilizing the controllable characteristics of the polymers, dual-mode display devices were fabricated via a simple spraying technique. More interestingly, a four-dimensional color code device was constructed by adding color change multiplexing to the two-dimensional space, thereby achieving high capacity information storage. Moreover, the color code device can also be applied in the multilevel anti-counterfeiting area. The encrypted information can be dynamically converted under different voltages. Thus, the AIE polymers show great promise for applications in multidimensional information storage and dynamic anti-counterfeiting, and the design strategy may provide a new avenue for advanced information storage and high security technology.

By using electrical stimuli-responsive AIE polymers, dual-mode display devices, multidimensional information storage and anti-counterfeiting devices were constructed.     

Correction: Click activated protodrugs against cancer increase the therapeutic potential of chemotherapy through local capture and activation

Correction for ‘Click activated protodrugs against cancer increase the therapeutic potential of chemotherapy through local capture and activation’ by Kui Wu et al., Chem. Sci., 2021, 12, 1259–1271, DOI: 10.1039/D0SC06099B.

The authors regret that the reference to the bond-breaking bioorthogonal chemistry, termed ‘click-to-release’ was omitted from the original article. In addition, we would like to include a reference describing the synthesis of compound 1, which is an intermediate to the protodrugs described in the original article. These references are listed below as ref. 1 and 2.The Royal Society of Chemistry apologizes for these errors and any consequent inconvenience to authors and readers.