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161.
162.
Aqua dissociation nature of cesium hydroxide 总被引:1,自引:0,他引:1
To understand the mechanism of aqueous base dissociation chemistry, the ionic dissociation of cesium-hydroxide in water clusters is examined using density functional theory and ab initio calculations. In this study, we report hydrated structures, stabilities, thermodynamic quantities, dissociation energies, infrared spectra, and electronic properties of CsOH(H(2)O)(n=0-4). With the addition of water molecules, the Cs-OH bond lengthened significantly from 2.46 A for n=1 to 3.08 A for n=4, which causes redshift in Cs-O stretching frequency. It is found that three water molecules are needed for the dissociation of Cs-OH, in contrast to the case of strong acid dissociation which requires at least four water molecules. However, the dissociation for n=3 could be considered as incomplete because a very weak CS em leader OH stretch mode is still present, while that for n=4 is complete since the Cs em leader OH mode no longer exists. This study can be related with hydration chemistry of cations and anions, and extended into the intra- and intercharge-transfer phenomena. 相似文献
163.
Evelina Liarou Yisong Han Ana M. Sanchez Marc Walker David M. Haddleton 《Chemical science》2020,11(20):5257
Rapidly self-deoxygenating Cu-RDRP in aqueous media is investigated. The disproportionation of Cu(i)/Me6Tren in water towards Cu(ii) and highly reactive Cu(0) leads to O2-free reaction environments within the first seconds of the reaction, even when the reaction takes place in the open-air. By leveraging this significantly fast O2-reducing activity of the disproportionation reaction, a range of well-defined water-soluble polymers with narrow dispersity are attained in a few minutes or less. This methodology provides the ability to prepare block copolymers via sequential monomer addition with little evidence for chain termination over the lifetime of the polymerization and allows for the synthesis of star-shaped polymers with the use of multi-functional initiators. The mechanism of self-deoxygenation is elucidated with the use of various characterization tools, and the species that participate in the rapid oxygen consumption is identified and discussed in detail.The rapidly self-deoxygenating Cu-RDRP in aqueous media is investigated. 相似文献
164.
粘度法预测聚乙二醇/壳聚糖体系的相容性 总被引:4,自引:0,他引:4
甲壳素在自然界的含量很大,仅次于纤维素,是一种颇具应用潜力的天然高分子.可由甲壳素经脱酸基化制得壳聚糖.由于其分子中存在氨基,因此能溶解干酸性水溶液中,并以聚电解质的形式存在,近来用壳聚糖制得的纤维膜应用于药物、食品等的分离和纯化、污水的处理,分离效果好,且不带入任何化学杂质.在壳聚糖纤维膜制作及与纤维的混纺过程中,都要探讨它与其它相应高聚物的相容性[1].我们以相容的壳聚糖(chitosan)/聚乙二醇(PEG)体系为例,采用粘度法讨论其分子间的相互作用,并预测它们的相容性.壳聚糖的基本结构为1实验部分1.1… 相似文献
165.
The characteristic features of ion transmission properties in a radio-frequency (RF) electric-field driven ion funnel using the SIMION ion trajectory simulation package is presented. A user program applying the Douglas ion-neutral collisional drag coefficient model is incorporated to properly account for the ion focusing and transport effect of the background gas under the effect of the driving RF and a superimposed DC field. The simulated m/z transmission window compares favorably with the experimental results reported by Smith et al. RF amplitude and pressure dependence of experimentally observed m/z transmission windows are also examined, and an approximated effective potential model based on Gerlich's equation is proposed to interpret the low-m/z cutoff behavior. A modified ion funnel configuration is described. 相似文献
166.
[reaction: see text] Combinatorial screening of five catalyst precursors and nine ligands with three substituted aniline trapping reagents uncovered a catalyst system that promotes efficient palladium-catalyzed cyclization-trapping with a series of substituted anilines of varying steric and electronic character. The results of the parallel optimization study illustrate the interdependency of the key reaction variables. 相似文献
167.
168.
To investigate the electronic structure and magnetic properties of manganese oxide clusters, we carried out first-principles electronic structure calculations for small MnO clusters. Among various structural and magnetic configurations of the clusters, the bulklike [111]-antiferromagnetic ordering is found to be favored energetically, while the surface atoms of the clusters exhibit interesting electronic and magnetic characteristics which are different from their bulk ones. The distinct features of the surface atoms are mainly attributed to the reduction of Mn coordination numbers and the bond-length contractions in the clusters, which may serve as a key factor for the understanding of physical and chemical properties of magnetic oxide nanoparticles. 相似文献
169.
Gao J Fu J Lin C Lin J Han Y Yu X Pan C 《Langmuir : the ACS journal of surfaces and colloids》2004,20(22):9775-9779
Silver nanoparticles were synthesized by the use of a two-armed polymer with a crown ether core [poly(styrene)]-dibenzo-18-crown-6-[poly(styrene)] based on the flexibility of the polymer chains and the complex effect of crown ether with Ag(+) and Ag. The size of silver nanoparticles could be tailored by controlling the initial concentrations of the polymer and Ag(+), and the molecular weight of the polymer. The emission of silver nanoparticles was blue-shifted, and the intensity of the photoluminescence of silver nanoparticles stabilized by the polymer was significantly increased due to the complex effect between the crown ether embedded in the polymer and the silver nanoparticles. 相似文献
170.
采用乙酸乙酯为环型和线型聚苯乙烯的非良溶剂, 确定了Mark-Houwink方程分别为[η]_r=1.91×10~(-2)·M~(0.607)和[η]_l=4.06×10~(-2)·M~(0.572)。研究了环型和线型聚苯乙烯的激基缔合物的荧光效应。通过稀溶液中环型和线型高分子线团在柔顺性上存在着差异, 解释了二者之间在荧光效应方面的差异, 并根据实验结果,确定了(I_E/I_M)c→0~M关系式分别为(I_E/I_M)r,c→0=1.91+3.40×10~(-6)M和(I_E/I_M)l,c→0=2.15+3.05×10~(-6)M。 相似文献