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Computationalresults indicate that the no-planar trans-benzanilide is the most stable structure. The spectra indicate that the Franck Condon region photodissociation dynamics have multidimensional character withnine activemodes. The intensity of υ24 mode in methanol is much stronger than that in acetonitrile. Compared with fatty amides and benzamide, phenyl substitution for H atom on-NH2 group makes C=O solvent effects disappear.

结果表明,苯甲酰苯胺的非平面反式结构为最稳定结构;在Frank-Condon区域内,苯甲酰苯胺主要由9个活性振动模组成;其中ν24(苯环上C=C不对称伸缩振动和CCH的面内弯曲振动,NH面内弯曲振动)振动模在甲醇溶剂中的强度远远大于其在乙腈的强度;与脂肪酰胺类化合物和苯甲酰胺的研究结果比较发现,苯基取代-NH2上的H原子使得C=O不再具有明显的溶剂效应。

At last, the relations between inhibition efficiency and molecular structure of inhibition of carbon steel in chlorhydric acid by benzene nitriles are studied by constructing the grey inhibition model of the relations between inhibition efficiency and molecular structure of inhibition of carbon steel in chlorhydric acid by benzene nitriles.

通过对2—苯基丁腈缓蚀性能的理论预测和试验验证,认为利用某一类苯腈类化合物的缓蚀性能与分子结构关系,从理论上预测同类型苯腈类化合物的缓蚀性能是可能和合理的。灰色理论研究结果表明,苯腈类化合物在盐酸溶液中对碳钢缓蚀的缓蚀性能与分子结构参数的关系,可用GM(0,3)模型描述。

These data were used to infer the molecular formula and the elemental compositions of all the fragmental ions through software interpretation and, by further applying fragmentation regularities of mass spectrometry, the majority of ions were fully assigned. A base peak at m/z 402 in the mass spectrum was found as the molecular ion. The fragments were created mainly from the fragmentations of the tetrahydrofuran rings and the hydroxyl group. The most fragment products contain the dimethoxy phenyl group.

利用这些数据通过软件导出了分子式和所有碎片离子的元素组成,由此进一步根据质谱裂解规律对石梓醇分子的电子轰击质谱的主要裂解碎片给出了完全的归属,质谱中发现基峰为分子离子峰(m/z402),裂解碎片主要来自双骈四氢呋喃环的裂解和羟基引起的裂解,绝大部分裂解产物包含二甲氧基苯基基团。

Utilizing 6 and several kinds of diazides prepared in our lab, polys containing 1,2,3-triazolyl and perfluorocyclobutane units were synthesized by "Click chemistry". Utilizing the polycondensation reaction between 6 and several commercially available aromatic diphenol or copolymerization reaction after adding another active aromatic dichloride, fluorinated polys containing phenylphosphine oxide units were synthesized. Utilizing the polycondensation reaction between 6 and several commercially available aromatic dianhydride, fluorinated polys containing PPO units were synthesized.Secondly, structure characterization of fluorinated polys.

利用化合物6同各种自制的二叠氮化合物,通过&Click chemistry&,合成了具有1,2,3-三唑环结构单元的全氟环丁基类聚芳醚;利用化合物22同各种商业化的芳香二元酚类化合物进行缩聚反应或者再加入另外一种活性芳香二氯代物进行三元共聚反应,制备了具有苯基氧膦结构单元的含氟聚芳醚;通过化合物25同各种商业化的芳香二元酸酐类化合物进行缩聚反应,得到了具有PPO结构单元的含氟聚醚酰亚胺。

We screened a set of Lewis base organocatalysts derived from chiral pipecolinic acid and tert-butanesulfinamide for the reduction of-N-Cbz-1- phenylpropenamine, including newly designed ones and some of those previously developed in our lab. However, only moderate stereoselectivities, albeit high yields were obtained.

在本课题组前期研究的基础上,我们筛选并设计了一系列以手性哌啶酸和叔丁基亚磺酰胺为母体的有机小分子路易斯碱催化剂,它们能催化三氯氢硅对-N-苄氧羰基-1-苯基丙烯胺的不对称还原,获得很高的收率和中等的对映选择性,并且具有很好的底物普适性。

With the analysis and discussion of their photoini- liability, it was indicated that their max are all around 330 nm, and all of them have excellent solubility in water and good photoinitiability. Furthermore, the three Photoinitiators with α-tert-amine are obviously superior to the one with just α-sec-amine. Among the four photoinitiators l-(4-aminophenyl)-2-diethylamino-l- propanone dihydrochloride is the best and it has excellent use value.

通过对它们的光引发性能测试和构效关系的分析探讨,表明四种光引发剂的最大吸收波长λ_(max均在330nm左右,具有优异的水溶性和良好的光引发性能,其中具有α-叔胺基团的三种光引发剂明显优于具有α-仲胺基团的光引发剂,尤其以1-(4-氨基苯基)-2-二乙胺基-1-丙酮盐酸盐的光引发性能最好,具有推广应用前景。

In order to get the aryl alkynyl thio ether, we need to synthesize some important terminal functional compounds. Based on the preceding reaearch of our laboratory, we selected methyl thio methyl phenyl sulfone as nucleophilic reagent to eract with aromatic aldehyde and synthesized successfully a series of methylthio aryl ethynes I_ by"one-pot"reaction .

本论文在大量的文献调研和本实验室过去研究结果的基础上,利用亲核硫试剂甲硫基甲基苯基砜(methylthiomethyl phenyl sulfone, MP-S)与芳香醛的&一锅反应&,成功的合成了一系列甲硫芳炔化合物I_,从而为实现形态各异的芳炔硫醚类分子提供了一个良好的构筑平台。

The results showed that the addition leading to -2-phenyl-2-(2-vinylpiperidin-1-yl) ethanol 7 could proceed with good diastereoselectivity and excellent yield (95%).(3) The selective N-deprotection of -2-phenyl-2-(2-vinylpiperidin-1-yl) ethanol 2 without affecting the vinyl group in the substrate were untaken.(4) The Zip reaction for the transformation of -1-(3-aminopropyl)-3-methylazecan-2-one 8 to -7-Methyl-1, Sdiaza-cyclotetradecan-6-one 9 were undertaken. The results showed that, under controlled conditions, acceptable yields (43%) could be achieved and racemization can be minimized during the ring expansion reaction.

该合成路线与文献方法相比,反应条件较温和,也缩短了反应时间;(2)哌啶衍生物2与乙烯基格氏试剂进行加成反应的条件和立体选择性,取得了较好的结果(差向异构体比为80:20,产率95%左右);(3)不饱和哌啶衍生物7在不影响碳碳双键的情况下去除苯基甘氨醇手性辅助基的条件;(4)具有羰基α位手性的氨基酰胺8在不同条件下经Zip重排反应转变为9的反应,控制反应条件,可使反应中消旋化减小到最小的程度。

The devices of sandwiched structure were prepared by compounding poly[2-methoxy-5-(2-ethyl-hexyloxy)-l,4-phenylene vinylene] with SiO_2. The thickness of MEH-PPV of these devices are different. We found the suitable frequency of drive voltage to obtain the greatest brightness. The device of cascade structure was prepared based on this work.

采用共轭高分子聚2-甲氧基-5-(2′-乙基-己氧基)-1,4-亚苯基亚乙烯基与SiO_2制成夹层结构器件,研究了不同发光层厚度的器件的发光特性,发现长波峰的发光强度随驱动电压频率的增大而增强、短波峰的发光强度随驱动电压频率的增大而减弱,进一步分析了其机理。

Model occulted corrosion cell and other electrochemical methods were employed to study the characteristic ofbronze pit corrosion, the effects of dissolved oxygen、 pH and richened migrating of 〓 ion on the developmentof cavity in the simulated electrolyte solution. Corrosion inhibition for chloride ion by1-phenyl-5-mercapto-tetrazole pre-film on bronze has been evaluated. The mechanism of interactionbetween PMTA and the bronze surface has been studied by means of AES and XPS techniques.

采用&模拟闭塞腐蚀电池&等电化学的方法,研究了青铜器粉状锈的孔蚀特征,以及模拟电解质溶液中溶解氧、pH值、氯离子的迁移富集对孔穴生长的影响,评价了1-苯基-5-巯基-四氮唑缓蚀膜抗氯离子腐蚀的性能,利用AES、XPS方法研究了PMTA青铜表面成膜作用的机理。

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