苯基的

The effects of various reaction conditions were studied by GC analysis. Reaction time has slight effect on the conversion of acenaphthene. The selectivity of N-phenyl aminoacenaphthene increases with reaction time. Biacenaphthenyls or N-phenyl aminoacenaphthene is in the majority, 77.6% or 90.2% when the molar ratio of AlCl3 to acenaphthene is 1.2 and 2.4 respectively.

GC考察了不同反应条件对苊转化率和产物选择性的影响，时间对苊转化率影响不大，N-苯基氨基苊的选择性随着时间增加而增大；随着AlCl3用量的增加，苊转化率和N-苯基氨基苊的选择性随之增加；AlCl3与苊的摩尔比为1.2和2.4时，产物中联苊和N-苯基氨基苊的选择性分别达到77.6%和90.2%。

2A series of alternating polyamide-imideswith fluorenyl cardo structure was synthesized by "one-pot" polycondensation of cardo diamines,trimellitic anhydride and various aromatic diamines including p-phenylene diamine,m-phenylene diamine, 4,4\'-oxydianiline,3,4\'-oxydianiline,2,2-bis[4-(4-aminophenoxy)phenyl]propane, 2,2-bis[4-(3-aminophenoxy)phenyl]propane respectively using triphenyl phosphite as condensing agents.

采用"一锅法"(One—pot Synthesis)，由Cardo二胺、偏苯三酸酐和不同二胺包括对苯二胺、间苯二胺、4，4\'—二氨基二苯醚、3，4\'—二氨基二苯醚、2，2—双[4—(4—氨基苯氧基苯基]丙烷和2，2—双[4—(3—氨基苯氧基)苯基]丙烷合成了一系列含有芴基Cardo结构的交替聚酰胺酰亚胺。

In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.

本论文拟采用密度泛函理论和非平衡格林函数相结合的第一性原理计算方法，选取苯基小分子作为研究对象，构建了金属电极/有机小分子/金属电极三明治结构体系，系统地研究了苯基分子器件结构的改变与分子电输运性质之间的关系以及影响分子器件电输运性质的相关因素，其中重点研究了分子与电极间可能的接触结构改变、官能团、分子间的扭转角以及外电场对苯基分子电输运性质的影响，本论文主要包括以下五个章节的内容：第一章为综述部分，主要介绍了分子电子学产生的背景、分子器件的研究意义、当前研究分子器件的实验和主要理论方法，以及目前在研究分子器件中存在的一些问题，最后给出了本论文的主要研究内容和技术路线。

Photoinduced reactions of 1 with 15, 16 and 19 gave the corresponding annulation products 21 (58%), 30 (71%) and 35 (87%) directly in one pot sequential reactions.

二氯香豆素（1）可分别与2-和3-苯基苯并呋喃以及2-甲基-4-苯基噻唑在光照条件下经一锅内的连续反应直接合成增环产物21（58％），30（71％）和35（87％）。

The annulation of stilbene compounds were studied. Phenanthrene derivates-interme diates of tylophorine were synthesized by annulation from-2,3-bis(3,4-dimethoxyphen yl)acrylic acid and-2,3-bis(3,4-dimethoxyphenyl) acrylonitrile with phenyliodine diace tate as a friendly and high efficient catalyzer.The route was first reported, whose application foreground would be promising.The catalyzer will be used to study of synthesi- zing a series of new phenanthrenes.

本文还探索了简单类化合物关环反应，并研究出用廉价高效对环境友好的催化剂-二乙酸碘苯成功地将类化合物－3，4-二甲氧基-α-(3，4-二甲氧苯基)-肉桂酸和-2-(3，4-二甲氧苯基)-3-(3，4-二甲氧苯基)-丙烯关环形成相应的菲环衍生物－娃儿藤碱重要中间体，此方法在国内尚属首次，具有重要的应用价值，此外可用此催化剂研究一系列类化合物的关环反应。

We gained the ethynylferrocene in high yield by the the reaction of triphenylphosphine with chloroform or bromoform in the presence of KOBu~t to give witting reagent, which reacted with formylferrocene and then followed by n-butyllithium dehydrohalogenation.

在本论文的第二部分，我们用三苯基磷与溴仿或氯仿在叔丁醇钾作用下，制得三苯基磷甲叉烯，然后与二茂铁甲醛反应，得到二氯取代烯烃，在正丁基锂作用下得到二茂铁乙炔。

In most known examples, the affected proteins are enzymes, as in phenylketonuric oligophrenia which affects 1 in 10,000 of the population. It is due to deficiency in the liver cells of phenylalanine hydroxylase, which normally converts phenylalanine to tyrosine, and brain damage apparently results from raised blood and cerebrospinal fluid levels of phenylalanine and its metabolites.

在已知的大部分病例中受损的蛋白质是酶，如苯丙酮尿酸精神幼稚病，患者占人口的万分之一，是由于在正常情况下使苯基氨基酸转变为酪氨酸的肝细胞苯基丙氨酸羟化酶缺乏所致，因此血液和脑脊液的苯基丙氨酸和其代谢产物水平升高而引起脑损伤。

The present invention relates to compounds of formula wherein R is hydrogen, lower alkyl, lower alkoxy, halogen or lower alkyl substituted by halogen; R is hydrogen or halogen; or R and R are together with the carbon atom to which they are attached -CH=CH-CH=CH-; R is hydrogen, lower alkyl, phenyl optionally substituted by halogen, or is hetaryl, optionally substituted by lower alkyl; R is hydrogen, lower alkyl, phenyl, benzyl, lower alkenyl, lower alkoxy, phenyloxy, benzyloxy, S-lower alkyl, halogen, CN, lower alkyl substituted by halogen or O-lower alkyl substituted by halogen; R is hydrogen or lower alkyl, aryl is phenyl or naphthyl; n is 1, 2 or 3; m is 1 or 2; and pharmaceutically acceptable acid addition salts and tautomeric forms thereof.

本发明涉及式化合物及其可药用的酸加成盐和互变异构形式，其中R 1 是氢、低级烷基、低级烷氧基、卤素或被卤素取代的低级烷基；R是氢或卤素；或R 1 和R与它们连接的碳原子一起是-CH＝CH-CH＝CH-；R 2 是氢、低级烷基、任选被卤素取代的苯基或者是任选被低级烷基取代的杂芳基；R 3 是氢、低级烷基、苯基、苄基、低级链烯基、低级烷氧基、苯氧基、苄氧基、S-低级烷基、卤素、CN、被卤素取代的低级烷基或被卤素取代的O-低级烷基；R 4 是氢或低级烷基，芳基是苯基或萘基；n是1、2或3；m是1或2。

In this thesis,the AM1,MNDO,MINDO/3(mainly AM1)and INDO/S-CI semiempirical MO methods were used toinvestigate the excited-state intramolecular protontransfer reactions of salicylic acid derivatives—salicylic acid,methyl salicylate,salicylaldehyde,o-hydroxyaceto-phenone,salicylamide and 3-hydroxy-picolinamide (6 conformers and 2-3 anion species);2-(2'-hydroxy-5' methylphenyl) benzotriazole(4 conformers),2-(2' hydroxyphenyl) benzimidazole (3 conformers and 3anion species),Bis-2,5-(2-benzoxazolyl)hydroquinone(3 conformers),2-(2'-hydroxyphenyl)benzothiazole(2conformers) and 7-azaindole dimer (2 conformers).Theinvestigations were described as follows.Geometry optimization,relative stability andhydrogen bonding energy First,for sylicylic acid derivative molecules,the AM1,MNDO and MINDO/3 methods were used toinvestigate ground-state geometry optimization,energies,relative stabilities and hydrogen-bondingenergies on the five kinds of the molecules(designing 6 conformers and 2-3 anion species).Comparing with experimental data,the optimizedgeometry,the order of stability,the hydrogen-bonding energies and the distances between O-O in O-H..O hydrogen bonds by AM1 method were in agreementwith the experimental data,however,the C-C bondlengths optimized by MNDO and MINDO/3 were longer,C-O and O-H bond lengths were shorter;for C-N bondlengths,the results opitimized by MNDO method werethe same as those by AM1 method,nevertheless the C-Nbond lengths given by MINDO/3 method were muchshorter.For some sylicylic acid derivatives(e.g.methyl salicylate,salicylamide),the order ofstabilities on the conformers given by MNDO andMINDO/3 methods were not in agreement with theexisting conformers deduced by experimental methods,and the hydrogen bonding energies calculated by MNDO.and MINDO/3 methods were smaller.Second,the studyon the other systems found that the optimizedgeometry of the proton-transfered product with INDOmethod could not be obtained,only could theoptimized geometry of reactant be obtained,and thecalculated hydrogen bonding energies were greater.Many results of calculation indicated that the studyon the excited-state intramolecular proton transferreaction system using AM1 method was suitable andreliable.

本论文用AM1、MNDO、MINDO/3（主要是AM1）和INDO/S-CI半经验分子轨道方法对水杨酸衍生物系列——水杨酸、水杨酸甲酯、水杨醛、O-羟基乙酰苯酮、水杨酰胺和3-羟基吡啶酰胺（6种异构体和2-3种阴离子）；2-（2'-羟基-5'-甲基苯基）苯并三〓唑（4种异构体）；2-（2'-羟基苯基）苯并咪唑（3种异构体和3种阴离子）；2，5-二间氮杂氧茚氢醌（3种异构体）；2-（2'-羟基苯基）间〓杂硫茚（2种异构体）和7-〓吲哚二体（2种异构体）的激发态分子内质子转移反应在以下几个方面进行了较系统的理论研究：几何构型优化和相对稳定性及氢键能首先以水杨酸衍生物系列分子为例，用AM1、MNDO和MINDO/3方法考察了5种分子（每种分子设计6种异构体和2-3种阴离子）的基态几何构型优化，能量、相对稳定性和氢键能计算，通过和实验数据进行比较，AM1方法给出的优化几何构型、稳定性次序、氢键能和O—H。。。O氢键的0—0距离与实验数据吻合最好，MNDO和MINDO/3方法优化的C-C键长偏长，C-O键和O-H键长偏短；对于C-N键长，MNDO和AM1优化结果差别不大，而MINDO/3给出了过短的C-N键长，MNDO和MINDO/3方法给出的有些水杨酸衍生物分子（如水杨酸甲酯和水杨酰胺）异构体的稳定性次序和实验上推测的可存在异构体结果不一致，MNDO和MINDO/3方法给出的氢键能偏低，对其他体系的研究发现INDO方法常常不能得到质子转移产物的优化几何构型，只能得到反应物的优化构型，并且估算的氢键能偏高，大量的计算结果表明AM1方法对本论文研究的激发态分子内质子转移反应体系是适宜和可靠的。

New ruthenium benzylidene complexes benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene] [k~2-diphenylphosphinoacetato] monochlororuthenium (46), benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene][k~2-3-propionato]monochlororuthenium (47), benzylidene[1,3-bis(2,6-dimethylphenyl)-4,5-dihydroimidazol-2-ylidene] [k~2-2-benzonato]monochlororuthenium (48) featured five-membered, flexible six-membered and rigidsix-membered chelating rings respectively are prepared by reactions of complex 41 withcorresponding sodium phosphino-carboxylates. It is confirmed by X-ray crystallographicanalysis that the coordination geometries of complexes 46 and 47 are distorted squarepyramids with phosphino-carboxylate ligands chelating to ruthenium, and the coordinationbetween ruthenium and benzylidene ligands are strengthened.

用二苯基瞵乙酸盐、二苯基膦丙酸盐、二苯基膦苯甲酸盐与钌卡宾配合物41反应合成了三个新的钌卡宾配合物：含五元膦-氧螯合环的1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基1-苯亚甲基--一氯合钌(46)、含六元柔性膦-氧螯合环的[1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基1-苯亚甲基--一氯合钌(47)及含六元刚性膦-氧螯合环的[1，3-二-(2，6-二甲苯基)-4，5-二氢咪唑基]-苯亚甲基--一氯合钌(48)。X射线单晶衍射分析证明，配合物46、47都为变形的四方锥构型，膦-氧与钌形成螯合配位，其中苯亚甲基与钌的配位得以加强。

According to the clear water experiment, aeration performance of the new equipment is good with high total oxygen transfer coefficient and oxygen utilization ratio.

曝气设备的动力效率在叶轮转速为120rpm～150rpm时取得最大值，此时氧利用率和充氧能力也具有较高值。

The environmental stability of that world - including its crushing pressures and icy darkness - means that some of its most famous inhabitants have survived for eons as evolutionary throwbacks, their bodies undergoing little change.

稳定的海底环境─包括能把人压扁的压力和冰冷的黑暗─意谓海底某些最知名的栖居生物已以演化返祖的样态活了万世，形体几无变化。