Nucleophilic Activation of Sulfur Hexafluoride by N-Heterocyclic Carbenes and N-Heterocyclic Olefins: A Computational Study

Sulfur hexafluoride (SF₆) is considered as a potent greenhouse gas, whose effective degradation is challenging. Here we report a computational study on the nucleophilic activation of sulfur hexafluoride by N-heterocyclic carbenes and N-heterocyclic olefins. The result shows that the activation of SF₆ is both thermodynamically and kinetically favorable at mild condition using NHOs with fluoro-substituted azolium and sulfur pentafluoride anion being formed. The Gibbs free energy barrier during the activation of SF₆ has a linear relationship with the energy of HOMO of substrates, which could be a guideline for applying those compounds that feature higher energy in HOMO to activate SF₆ in high efficiency.     

A biocatalytic route to enantioenriched, sulfanyl aldol products

The aldol products derived from sulfur- or selenium containing acceptors were prepared by kinetic resolution in the presence of antibody 84G3 with enantiomeric excesses ranging from 56 to 70%. Much higher level of enantioselectivity was obtained (enantiomeric excesses all superior to 96%) for sulfanyl aldol products derived from thiomethoxyacetone with three different acceptors.     

CID-ICP-AES检测煤中不同形态的硫

研究了CID-ICP-AES检测煤中硫酸盐和硫铁矿形态硫的方法。较现有国标方法快速、简便，常见元素不干扰，加标回收率在98．5％-103．0％之间，10次测定的RSD在0．76％-1．59％之间。     

Determination of the boiling point distribution of sulfur compounds in light cycle oil using GC with a flame photometric detector and pyrolyzer

A method has been developed to determine the boiling point distribution of sulfur compounds in light cycle oils (LCO'S). The method chosen for this analysis was GC with a flame photometric detector (FPD) and pyrolyzer. Tests were carried out to evaluate the recovery efficiency, repeatability, and accuracy of the method. Repeatabilities within 2% were obtained. The recovery of benzothiophenes and dibenzothiophenes was close to 100%; this was important because these are the major sulfur components in LCO's. No hydrocarbon or solvent interferences were observed with the use of the pyrolyzer, even for a 95% solvent level. Comparison with results from other techniques showed that the method accurately determined the levels of sulfur compounds in the LCO boiling point range.     

Methane activation on Ni(1 1 1): Effects of poisons and step defects

We have, theoretically and experimentally, investigated the dissociation of methane on the terraces and steps of a Ni(1 1 1) surface. Using Density Functional Theory (DFT) total energy calculations combined with Ultra High Vacuum (UHV) experiments, we find that the steps exhibit a higher activity than the terraces. We have, furthermore, investigated how carbon and sulfur present on the surface will deactivate the steps, leaving only the terraces active. We find the intrinsic sticking probabilities of methane on the steps and terraces at 500 K to be 2.8 × 10⁻⁷ for the steps and 2.1 × 10⁻⁹ for the terraces, in complete agreement with our calculated difference in activation energy of 17 kJ/mol.     

CuO—ZnO／Al2O3—TiO2催化剂中TiO2的结构和电子效应

采用XPS,XRD,TPR,TPD和指标反应等方法研究了TiO_2在负载型CuO-ZnO/Al_2O_3-TiO_2催化剂中所起的作用.发现TiO_2起双重作用,即结构效应和电子效应,TiO_2的结构效应主要表现为它改善了CuO在载体上的分布.TiO_2的电子效应表现为它对Cu~0具有吸电子的作用,从而削弱了Cu和S之间的吸附力,使S容易脱除.另外,部分还原形成的Ti~(3+)具有促进CuS中的Cu~(2+)还原为Cu~0的能力,TiO_2的上述效应的综合结果使催化剂的抗硫中毒性能大大增强.     

磷钼杂多化合物脱硫热力学可行性与硫磺生成机理研究

长期以来杂多化合物一直被用作特定反应的催化剂 ,尚无直接利用其氧化还原性能进行污染物治理研究的先例 [1] .由于磷和钼在我国均为丰产元素 ,相应的杂多化合物又具有稳定的化学性能 ,寻找其新的应用领域无疑具有特别重要的意义 .本文对与此相关的脱硫热力学可行性与硫磺生成机理问题进行研究 ,以期为应用开发奠定理论基础 .1　实验部分1 .1　仪器和试剂　 31 4型硫离子选择电极 (江苏电分析仪器厂 ) ;DSC- 7型微分量热仪 (美国 Perkin-Elmer公司 ) ;Finber 1 0 0 0型能谱分析仪 (配置 Pioneer KYKY2 80 0型扫描电镜 ) ;UJ33a型电位…     

用碘酸钾滴定法标定二氧化硫标准溶液

用KIO3滴定法标定SO2标准溶液,RSD≈0.10%,标定结果与标准法结果无显著性差异,相对误差<±0.3%。     

钙钛矿型CO氧化催化剂耐SO2中毒性质的研究

钙钛矿型ＣＯ氧化催化剂耐ＳＯ２中毒性质的研究马春曦王宝辉（大庆石油学院石油化工系安达１５１４００）关键词钙钛矿型催化剂一氧化碳氧化硫中毒近年来，人们对钙钛矿型复合物ＣＯ氧化催化剂作了大量研究，证明其具有很高的ＣＯ氧化活性［１－３］，并开始尝试应用于汽...