双自由基NH与O3反应机理的理论研究

用量子化学从头算方法,研究了单重态双自由基ＮＨ与Ｏ３反应的机理．在ＨＦ６－３１Ｇ（ｄ）水平上用梯度解析技术全参数优化上述反应的反应物、中间体、过滤态和产物构型,ＭＰ２６－３１Ｇ（ｄ）方法计算能量,给出了有关化合物的结构数据．结果表明：双自由基ＮＨ与Ｏ３反应分两步进行：第一步直接生成富能中间体ＨＮＯ３,该步反应为强放热反应,放出的热量为３５２９２ｋＪ·ｍｏｌ－１（ＭＰ２６－３１Ｇ（ｄ）∥ＨＦ６－３１Ｇ（ｄ））;第二步中间体经过渡态ＴＳ裂解生成ＨＮＯ和Ｏ２,放出的热量为１４８６５ｋＪ·ｍｏｌ－１（ＭＰ２６－３１Ｇ（ｄ）∥ＨＦ６－３１Ｇ（ｄ）．总反应放出的热量为５０１．５７ｋＪ·ｍｏｌ－１（ＭＰ２６－３１Ｇ（ｄ）∥ＨＦ６－３１Ｇ（ｄ））．通过内禀反应坐标（ＩＲＣ）计算,获得了沿反应途径的势能剖面     

SrGa2S4:Ce blue TFEL in new structure

SrGa₂S₄: Ce blue TFEL device with a novel structure was prepared by electron beam evaporation. The dielectric constant of insulator layer in this structure is far less than that in the conventional structure, so the hot-electrons can be accelerated in SiO₂ layers. The stable TFEL with good chromaticity was achieved and the basic characteristics were investigated.     

十八烷基（2—亚硫酸）乙基二甲基铵的合成

由Ｎ,Ｎ－二甲基十八烷基胺和乙撑亚硫酸酯反应合成十八烷基（２－亚硫酸）乙基二甲基铵是一种新型的亚硫酸内酯型两性表面活性剂,经红外光谱和核磁共振谱分析,确定了该化合物的结构,该两性表面活性剂合成方法简单,原料易得,用途广泛,有发展前途。     

大洋多金属结核中五氧化二磷分析方法

试样经ＮａＯＨ溶融,水浸取后,使Ｆｅ、Ｍｎ、Ｃｕ、Ｃｏ、Ｎｉ等共存元素形成氢氧化物沉淀与磷分离,滤液中的磷用磷钼黄光度法测定。方法简便、快速、精密度好、准确度高。经对标准物质ＧＢＷ０７２４９测定,结果与推荐值吻合,ＲＳＤ（ｎ＝１０）〈１．４％。     

平面型无参比电极二氧化硫传感器

制备了一种新型无参比电极由ＮＡＳＩＣＯＮ和ＹＳＺ两种固体电解质及Ｎａ２ＳＯ４辅助电极构成的二氧化硫传感器。实验结果表明,该传感器对二氧化硫产生Ｎｅｒｎｓｔ响应。由于这种传感器采用了平面结构,对比电极和工作电极处于同样气氛中,消除了氧的影响和密封问题,同时有利于传感器的微型化和多元复合。     

Preparation of enantiomerically pure 1,1′-bi-2-naphthols from 85% cinchonine and 1,1′-bi-2-naphtholboric anhydride

A possibility of preparation of enantiomerically pure 1,1′-bi-2-naphthols using an impure cinchonine has been examined. The solid and the mother liquor formed from the reaction of 1,1′-bi-2-naphtholboric anhydride and 85% cinchonine in toluene could give optically pure (S)-(−)- and (R)-(+)-1,1′-bi-2-naphthol after acidification and kinetic crystallization, the overall yields were 40% and 28%, respectively. Supported by the National Natural Science Foundation of China (2937206) and the Natural Science Foundation of Hubei Province (93J27) Xiong Ying, born in 1971, Graduate student     

Search for new antiphytovirucides

The lead compound of substituted 2-(4′-hydroxyphenyl)benzimidazoles were modified by phosphorylation sulfonation and carboxymethylation. The benzimidazoloamidophosphate (6) (7) have better activity against tobacco mosaic virus (TMV). The benzimidazolophenoxyacetic acid, phenoxysulfonic acid containing trifluoromethyl, and nitro group have 77%≈85% efficiency for wheat rust disease. Supported by the National Natural Science Foundation of China and National Laboratory of Elemento Organic Chemistry Nankai University Qu Fanqi: born in 1952, Associate professor     

1,3—二氯—2—丙醇氧化反应的研究

对１,３－二氯－２－丙醇的氧化反应进行了系统的研究,将８４％的硫酸溶液慢慢滴加到包含有１,３－二氯－２丙醇和重铬酸钠水溶液的反应容器中去,将体系保持在２４℃～２６℃拦反应６ｈ,反应完成后,过滤回收１,３－二氯丙酮粗品,粗品用冰水洗涤,然后通过蒸馏经可获得８０．４％的收率的１,３－二氯丙酮,这是一种合成１,３－二氯丙酮较好的工艺,这种工艺与同类文献介绍的方法比较目标产物收率提高１０％,而反应时间缩短     

CO对Cu—Zn—Zr催化剂CO2加氢合成甲醇的影响

用四种ＣＯ含量不同的原料气对Ｃｕ－Ｚｎ－Ｚｒ催化剂进行ＣＯ２加氢合成甲醇的研究．结果表明ＣＯ能抑制催化剂表面产生逆水汽变换反应活性位的ＣＯ２吸附,从而有效地提高ＣＯ２加氢合成甲醇的选择性     

CuO／SiO2和CuO—ZnO／SiO2催化剂的热分析性质

用差热分析（ＴＧ／ＤＴＡ）技术研究了ＣｕＯ／ＳｉＯ２和ＣｕＯ－ＺｎＯ／ＳｉＯ２催化剂于Ｈ２气下的还原行为和在Ｏ２气下的氧化行为及对其催化性能的影响。结果表明,ＺｎＯ的加入有利于催化剂的热稳定性,并对ＣｕＯ的还原有促进作用;在有氧化气氛存在时,ＺｎＯ的加入不利于保持Ｃｕ＾０的还原态。