Do all the protic ionic liquids exist as molecular aggregates in the gas phase?

According to an EI-MS study of 1,1,3,3-tetramethylguanidium-based protic ionic liquids (PILs), it has been concluded that not all PILs exist as molecular aggregates in the gas phase. The detection of both ions of m/z 115.0 and m/z 116.0 for the 1,1,3,3-tetramethylguanidinium trifluoromethylsulfonate (TMGS) protic ionic liquid indicates that both the molecular and ionic aggregates co-exist in the gas phase, which is to say that the TMGS may also evaporate via the ionic aggregates just like aprotic ionic liquids. Furthermore, investigation on triethylamine-based and 1-methylimidazole-based PILs confirmed that the gas phase structure of PILs depends on both the acidity and basicity of the corresponding acid and base.     

OPTIMIZATION OF Ni BIOACCUMULATION BY SYNECHCOCCUS

Influencing factors on bioaccumulation of Ni by Synechcoccus were studied in this paper. The equilibration time of Ni bioaccumulation was about 80 min in aqueous solution. Bioaccumulation quantity reached maximum when mass ratio of Ni to dry weight concentration of Synechcoccus was 16-18%. Bioaccumulation quantity increased with increasing pH. The optimum pH was 9-10 and higher pH led to precipitation of Ni（OH）2. Bioaccumulation quantity was also influenced by temperature and light intensity reaching their optima at 35℃ and 3 000 lx respectively. Bioaccumulation of nonliving algae was larger than that of living algae.     

Anhydrous tetrabutylammonium fluoride

Tetrabutylammonium fluoride (TBAF) is prepared at low temperature by nucleophilic aromatic substitution of hexafluorobenzene with tetrabutylammonium cyanide. Adventitious water is scavenged during this synthesis by the generated hexacyanobenzene, which readily adds water under basic conditions. Contrary to expectations, TBAF is stable to Hofmann elimination in polar aprotic solvents under anhydrous conditions. Added hydroxylic solvents are shown to catalyze the decomposition of TBAF and to catalyze proton exchange with DMSO. The synthetic utility of this salt is described briefly.     

低频电磁脉冲对复杂电大目标耦合效应

针对复杂电大目标电磁脉冲耦合效应缺乏定量研究的问题,基于时域有限差分方法(FDTD)建立了一套电磁脉冲耦合效应建模与评估分析流程,开展了低频电磁脉冲激励下的仿真试验,获取和分析了特性数据,进而提出了一种表面加载透明导电材料的低频电磁脉冲激励防护方法。试验结果表明:基于功率密度的易损性分析具有良好的工程适用性,而且防护方法对低频电磁脉冲激励具有较好的屏蔽效能。     

Reaction mechanism of uracil bromination by HBrO: a new way to generate the enol-keto form of 5-bromouracil

Knowledge on the uracil bromination reaction is helpful for understanding the origin of the mutagenicity of 5-bromouracil (BrU). To get more details about this reaction, we explore the corresponding reaction mechanism by theoretical method. A total of seven pathways were studied for this purpose. The diketo form of BrU is observed as the main product in these pathways, which agrees well with experimental results. The most energy-favorable reaction pathway is found to be that Br and OH attacked the opposite sides of uracil. The reaction intermediate reported in the experiment is predicted to be reasonably stable. In the following step, a dehydration process occurs between H11 and O13-H14 when there are no explicit H(2)O taking part. However, when there are explicit water molecules in the environment, explicit H(2)O will lower the reaction barrier in the formation of reaction intermediates and the final product BrU. A proton-transfer process from C5 to O10 is facilitated by explicit H(2)O, which results in enol-keto form intermediate of this modified base (defined as BrU*). These results indicate a new way to generate the enol-keto form of BrU.     

A theoretical investigation of the interactions between water molecules and ionic liquids

Quantum chemical calculations have been used to investigate the interaction between water molecules and ionic liquids based on the imidazolium cation with the anions [Cl(-)], [Br(-)], [BF(4)(-)], and [PF(6)(-)]. The predicted geometries and interaction energies implied that the water molecules interact with the Cl(-), Br(-), and BF(4)(-0 anions to form X(-)...W (X = Cl or Br, W = H(2)O), 2X-...2W, BF(4)(-)...W, and W...BF(4)(-)...W complexes. The hydrophobic PF(6)(-) anion could not form a stable complex with the water molecules at the density functional theory (DFT) level. Further studies indicate that the cation could also form a strong interaction with the water molecules. The 1-ethyl-3-methylimidazolium cation (Emim(+)) has been used as a model cation to investigate the interaction between a water molecule and a cation. In addition, the interaction between the ion pairs and the water was studied by using 1-ethyl-3-methylimidazolium chloride (Emim x Cl) as a model ionic liquid. The strengths of the interactions in these categories follow the trend anion-W > cation-W > ion pair-W.     

构建化学实验教学新体系,培养创新创业人才

基于创新创业型人才培养的需要,针对当前化学化工专业大学生实验教学中的能力培养问题,通过实验教学内容与科学研究和生产应用互动,构建了化学实验教学新体系,将训练实验技能、训练知识转移能力、训练创新创业意识等环节相互融合、相互支撑,从课内延伸到课外,做到大学四年创新创业训练不断线,并在本科生的实验教学过程中进行了实施,取得了良好的教学效果。     

Luminescent Thin Films Enabled by CsPbX3 (X=Cl,Br, I) Precursor Solution

Inorganic cesium lead halide perovskite nanocrystals are candidates for lighting and display materials due to their outstanding optoelectronic properties. However, the dissolution issue of perovskite nanocrystals in polar solvents remains a challenge for practical applications. Herein, we present a newly designed one-step spin-coating strategy to prepare a novel multicolor-tunable CsPbX₃ (X=Cl, Br, I) nanocrystal film, where the CsPbX₃ precursor solution was formed by dissolving PbO, Cs₂CO₃, and CH₃NH₃X into the ionic liquid n-butylammonium butyrate. The as-designed CsPbX₃ nanocrystal films show high color purity with a narrow emission width. Also, the blue CsPb(Cl/Br)₃ film demonstrates an absolute photoluminescence quantum yields (PLQY) of 15.6 %, which is higher than 11.7 % of green CsPbBr₃ and 8.3 % of red CsPb(Br/I)₃ film. This study develops an effective approach to preparing CsPbX₃ nanocrystal thin films, opening a new avenue to design perovskite nanocrystals-based devices for lighting and display applications.     

Hierarchically Structured Porous SnO2/TiO2 Materials with Design Controllable Phases and Enhanced Photocatalytic Activity

Russian Journal of Applied Chemistry - To increase the photogenerated carrier separation and reduce the electron-hole recombination process for photocatalysts performance. In this article,...