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The results of calculation will be fundmentally consistent with the experimental values.In addition, we calculated dibenzene chromium and its derivatives, ferroceneand its derivatives. The former had higher symmetry. We studied the substituenteffects by calculating their NMR spectra. The results show that: when we add asubstitute group on one ring of dibenzene chromium, the substitute group will affecttwo benzene rings. The effect is similar to the effect of branched alkanes, namely:the effect on neighbouring groups has transmissibility. Furthermore, the nearer theneighbouring group is, the stronger the effect is. This effect is observed not only onthe substituted ring, but also on the unsubstituted ring.

此外，我们重点计算了二苯铬及其衍生物和二茂铁及其衍生物的核磁共振谱，其中二苯铬及其衍生物选择的是对称性较好的体系，通过计算其核磁共振四川师范大学硕士学位论文谱，探讨其取代基效应，结果表明：在二苯铬的一个环上引入取代基后，取代基对两个苯环的影响，类似于支链院烃引入取代基后的影响：即对邻近基团的影响有传递性，并且对离得近的作用强，对离得远的作用弱，这种作用不仅体现在连有取代基的环上，也体现在没有带取代基的环上。

The electronic structures and the non-linear optical properties of bis schiff base and their derivatives have been studied using FF/HF method.The effects of electron donor/acceptor on nonlinear optical property were examined at the molecular level.As a result,the NLO coefficients of the substituted compounds are all larger than the unsubstituted compound.Among them, the β value of compound 4 is the largest one.

自1961年激光发现以来，非线性光学和非线性光学材料迅速发展起来[1～4]，随着光通讯、光电子学和光信息处理等在实际中的应用，对非线性光学材料的理论与实验研究进一步展开，寻找和设计具有较大非线性光学系数，超快光学响应，较低的光学损伤阈值，良好的化学稳定性和热稳定性的非线性光学材料成为这一领域的主题[5～12]。

Using classical diazotisation of anilines, 5-(4-aminophenyl)-10,15,20-triphenyl-porphyrin was converted to a series of meso-tetraarylporphyrins with different substituents, including 5-(4-hydroxylphenyl)-10,15,20-triphenylporphyrin (80%), 5-(4-chlorophenyl)-10,15,20-triphenylporphyrin (74%), 5-(4-iodinphenyl)-10,15,20-triphenylporphyrin (76%), 5-(4-hydrazinephenyl)-10,15,20-triphenylporphyrin (67%) and 5-(4-bisphenyl)-10,15,20-triphenylporphyrin (32%). Therefore an efficient way of synthesizing unsymmetrically substituted TAPs was developed.

利用芳胺的重氮化及重氮盐反应，研究了5-(4-氨基苯基)-10，15，20-三苯基卟啉上氨基官能团的转化反应，以较高产率合成了5-(4-羟基苯基)-10，15，20-三苯基卟啉(80%)、5-(4-氯苯基)-10，15，20-三苯基卟啉(74%)、5-(4-碘基苯基)-10，15，20-三苯基卟啉(76%)、5-(4-肼基苯基)-10，15，20-三苯基卟啉(67%)和5-(4-联苯基)-10，15，20-三苯基卟啉(32%)等一系列含单个para-取代基的meso-四芳基卟啉，为合成不对称取代的芳基卟啉提供一条有效途径。

New compounds of the type of unsymmetrically substituted ureas are synthesized by a series of reactions of preparing organic isocyanates by Curtius rearrangement with aromatic amine.

以3 苯基 2 丙烯酸为原料，用Curtius重排的方法合成异氰酸酯，直接与芳香胺作用，合成了5 种N 取代苯基 N′苯丙烯基脲类化合物。

The optimum reaction condition for preparation of CoPcY is as follows: a , using CoCl2 as the exchanged salt ; b , complexation temperature of 180 ; c . complexation catalyst of NH4C1 and A1C13 .2, The unsymmetrically substituted cobalt phthalocyanine complexes were synthesized by statistical condensation of phthalic anhydride and tetrabromophthalic anhydride, and further immobilized in MCM-41 molecular sieves by zeolite synthesis method, as well as characterized by XRD,FT-IR,DRS, 1HNMRetc. The catalytic property of CoPcBrx/MCM-41was tested by cyclohexane oxidation using H2O2 or t-BOOH as oxidant.

2采用本路线制备CoPcY的最佳条件为：a、采用氯化钴作为待交换的金属盐；b、络合温度以180℃为宜；c、起始反应物为苯酐、尿素、氯化铵、氯化铝、CoY时，制备出的CoPcY的催化性能最好； 2、首次采用苯酐和四溴苯酐均相浓缩统计合成法制得了不对称取代的金属钴酞菁络合物，并采用~1HNMR、FTIR、DRS等对其进行了结构表征；此外，采用沸石合成法将其固定于MCM-41中孔分子筛，并对其催化性能进行了考察。

Results: Acquired three trifluoromethyl carboline derivatives that the third place having been substituted, the stucture of production is confinned by GC/MS,IR and 'HNMR.

结果：得到三个三位取代的含三氟甲基β-咔啉类化合物，产物结构经红外光谱、核磁共振光谱，质谱确证。

The change for substitute group on chlorin ring of chlorophyll-a derivative and the effect on their visible spectra is discussed and summarized according to relation of electron effect and substituted position of different groups with conjugated region.

根据不同取代基的电子效应、取代位置与分子共轭区域的联系，提出二氮杂轮烯和四氮杂轮烯组成的非等原子芳香体系结构，总结了卟吩大环上的化学结构变化对其可见光谱的影响。

Whether in developed countries or in developing countries, on one hand some enterprises grow into huge groups through expanding, annexing and purchasing; on the other hand, many SMEs are also flourishing, playing an part which cannot be substituted in the development of productivity.

无论发达国家还是发展中国家，一方面一批企业通过扩张、兼并、收购形成规模巨大的企业集团；另一方面大量中小企业也蓬勃发展，它们对生产力的发展仍有其不可替代的作用。

The cross-current flow extraction of substituted anilines from aqueous solution was conducted with extractant which has high extraction efficency and is easy to be biodegraded.

选择萃取效率高、生物降解性好的溶剂对取代苯胺进行了错流萃取的研究，并对萃取后水相的生物降解性进行了研究。

The energy your home consumes with you in it through the use of electronics and lights can be substituted with spending time out on the town, or congregating with friends.

在这段时间里，与其大用电器电灯消耗家里的电，倒不到镇上逛逛，或和朋友外出聚会。

She gently rebuff ed him, but agreed that they could be friends

她婉言拒绝了，但同意作为朋友相处。

If in the penal farm, you were sure to be criticized.

要是在劳改农场，你等着挨绳子吧！