单层光学薄膜中薄膜－衬底体系的双重干涉效应及其应用

提出了单层光学薄膜中薄膜与衬底反射光之间的双重干涉效应的理论，实验结果证实了理论分析的正确性。双重干涉效应使薄膜－衬底体系的热致反射调制度高达８０％，这一效应可望有极广泛的应用     

后处理温度对ZrO2气凝胶超细粉织构和结构的影响

运用神效儿宝治疗小儿厌食症２１０例，总有效率为９５．２％，显效率为６２．４％。该药使用、携带方便、见效快，疗效短，无毒副作用。实验证明，该药能显著提高胃蛋白酶含量，减慢肠管推进性运动，提高动物耐疲劳、耐缺氧能力，提高巨噬细胞吞噬率及血清补Ｃ３含量，且无毒副。作用     

糖蛋白/胆红素钙水溶性复合物的形成及光谱研究

采用傅立叶变换红外光谱(FT-IR)，结合减法、二阶导、退卷积和曲线拟合等先进光谱技术，紫外可见光谱，ICP-AES分析方法，对不同质量比的α-酸性糖蛋白(AGP)和胆红素钙(CaBR)反应后的滤液进行了研究。结果表明，AGP和CaBR之间存在着较强的相互作用，导致AGP二级结构的有序性增加，CaBR的水溶性增大，两者形成了可溶性的AGP/CaBR复合物。     

铕离子探针研究Al2O3的相变过程

氧化铝具有许多重要的工业用途，而制备高热稳定活性氧化铝的技术也在不断地发展[1，2]，因此，研究其高温烧结下的相变过程很有意义．离子深法作为新型测试手段，已成功地用于生物大分子结构与功能研究方面［‘］，而在固体材料测试中的应用尚未见报道．我们以EU’“作为荧光探针，并结合＊＊D和＊nR研究了川对。在不同烧结温度下的相变过程．1实验部分样品的制备采用复盐分解法．先将Elf刀s用高纯硝酸溶解定容．以占AlzO。重量1％的量加入到硫酸铝锭溶液中，进行超声处理，冷冻干燥．再依次登于900”C、1000C、1100C、1200C的高温炉…     

Structure of Tetra[β-(1,2,4-triazole-1-yl)propiophenone] Dichloro Nickel(II) Solvate Hexahydrate Complex: [NiCl_2(C_2H_2N_3CH_2CH_2COPh)_4]·6H_2O

IntroductionRecently ,thecompoundscontaining 1H 1,2 ,4 tria zolegrouphaveattractedmuchinterestbecausetheyex hibitsomefungicidalactivity ,plantgrowthregulatingac tivity ,1antibacterialactivityagainstPucciniareconditeandrootsgrowthregulationforcucumber .2 Also ,suchcom poundsareincreasinglybeingstudiedbecauseofthecoor dinationchemistryoftriazolesactingasligandsintransi tionmetalcompounds .Asamatteroffact ,thetriazolederivativeshavebeenextensivelyusedasterminalandbridgingligands ,andtheyleadto…     

铁基超细粒子催化剂结构与还原行为的Mssbauer谱研究

铁基超细粒子催化剂具有优良的F-T反应性能。本工作利用原位Mssbauer谱辅以XRD技术研究了含有钾助剂的F-T合成铁基超细粒子催化剂的结构与还原行为,考察了催化剂组成和第二金属组分(Mn,Zn,Mg)的影响。“纯”铁超细粒子催化剂在氢气中很容易经Fe_3O_4还原为零价铁。第二金属组分的引入,一方面阻碍了催化剂的还原,另一方面稳定了Fe~(2+)的存在而使其成为还原的主要中间相,这有利于反应条件下形成类尖晶石结构的活性相。对于Fe-Mn催化剂,上述效应随锰含量的增加而更趋显著。铁基超细粒子催化剂在氢气中的还原能力依“纯”Fe>Fe-Zn>Fe-Mn>Fe-Mg的顺序递减,这在一定程度上反映了铁与第二金属组分之间相互作用的强弱。     

铁／锌催化剂的物相结构及其还原行为的穆斯堡尔谱研究

以Mossbauer谱为手段,研究了用于F-T合成的Fe/Zn催化剂的物相结构,并考察了组成及制备方法的影响,同时还对其还原、碳化行为进行了探讨.发现锌对铁的还原有抑制作用,它能够稳定二价铁不被进一步还原.研究还表明,我们所研制的Fe/Zn催化剂是一种高分散度的铁锌化合物,室温下具有超顺磁特性.     

甲醇在超临界环已烷中形成簇团的Monte Carlo初探

用Ｍｏｎｔｅ Ｃａｒｌｏ方法研究了甲醇－环己烷体系的微观结构随压力（密度）的变化情况，结果表明，在临界区域甲醇分子的聚集最为明显，形成的甲醇团簇尺寸最大，溶剂分子在甲醇周围的局部密度则在低于临界区或亚临界区较大。     

Ab initio study of the complexes of halogen-containing molecules RX (X=Cl, Br, and I) and NH3: towards understanding the nature of halogen bonding and the electron-accepting propensities of covalently bonded halogen atoms

Ab initio calculations have been performed on a series of complexes formed between halogen-containing molecules and ammonia to gain a deeper insight into the nature of halogen bonding. It appears that the dihalogen molecules form the strongest halogen-bonded complexes with ammonia, followed by HOX; the charge-transfer-type contribution has been demonstrated to dominate the halogen bonding in these complexes. For the complexes involving carbon-bound halogen molecules, our calculations clearly indicate that electrostatic interactions are mainly responsible for their binding energies. Whereas the halogen-bond strength is significantly enhanced by progressive fluorine substitution, the substitution of a hydrogen atom by a methyl group in the CH(3)X...NH(3) complex weakened the halogen bonding. Moreover, remote substituent effects have also been noted in the complexes of halobenzenes with different para substituents. The influence of the hybridization state of the carbon atom bonded to the halogen atom has also been examined and the results reveal that halogen-bond strengths decrease in the order HC triple bond CX > H(2)C=CHX approximately O=CHX approximately C(6)H(5)X > CH(3)X. In addition, several excellent linear correlations have been established between the interaction energies and both the amount of charge transfer and the electrostatic potentials corresponding to an electron density of 0.002 au along the R-X axis; these correlations provide good models with which to evaluate the electron-accepting abilities of the covalently bonded halogen atoms. Finally, some positively charged halogen-bonded systems have been investigated and the effect of the charge has been discussed.