酰氧基

It crystallizes in the monoclinic space group C2/c, with a=1.6953(3)nm, b=1.9241(4)nm, c=1.7760(4)nm,β=94.75(3)°. Each Gd ion is coordinated by two oxygen atoms from two different radicals NITPh(OCH3)3 and six oxygen atoms from three hfac molecules to form eight-coordinated dodecahedron geometry.

Gd离子采取八配位的模式，两个氮氧自由基作为单齿端基配体分别以氮氧基团的氧原子与Gd离子配位，三个六氟乙酰丙酮阴离子分别以两个氧原子与Gd离子配位，构成十二面体。

The main results are as follows.1. The UV-visible absorption spectra, the spin-trapping EPR measurements, and the DPA (9,10-diphenylanthracene) bleaching experiments showed that (1) HB-Net exhibits much improved light harvesting efficiency in the phototherapeutic window (600-900 nm) as the result of its remarkable absorption red shift with respect to HB;(2) HB-Net remains the generation abilities of semiquinone anion radical, superoxide anion radical, hydroxyl radical, and singlet oxygen, but with much lower efficiencies than that of HB, most likely due to its very short triplet excited state lifetime.

设计合成了寡聚吡咯酰胺修饰的竹红菌乙素衍生物HB-Net，利用紫外-可见吸收光谱、自旋捕获技术和DPA光漂白法详尽比较了HB-Net与HB的光动力性质，发现：(1) HB-Net的吸收光谱较HB有显著红移，在光疗窗口的吸光能力明显提高；(2) HB-Net能够产生半醌负离子自由基、超氧负离子自由基、羟基自由基和单重态氧，但由于其短的三重态寿命，这些活性物种的产生能力均弱于HB.2。

Our use Co2 as a catalyst in this work, exploring new way to produce nitrobenzoic acid from nitrotoluene under the prue oxygen in basic medium.

本文探讨了以乙酰丙酮钴为催化剂，分子氧为氧源，在NaOH-CH_3OH的反应环境下，氧化硝基甲苯制备硝基苯甲酸的新方法。

Phenyl or m -tolyl selenoamides reacted with functionalized α-haloacetic acid in 1∶1 or 1∶2 molar ratio with no catalyst in various alcohols to undergo a selenium transfer reaction. This reaction in dif-ferent molar ratios furnished the same C—Se—Se—C coupling products with a special structure bis diselenide. A new and facile method for synthesis of such bis(alkoxycarbonyl-methyl) diselenides with the advantages of mild reaction conditions, high yields, easy availability of starting materials and good chemical selectivity was provided.

芳基硒代酰胺与氯乙酸在各种醇中无催化剂下以1∶1和1∶2的比例投入，发生硒转移反应，不同原料投入比下的反应生成了同一种C—Se—Se—C偶联产物——具有多功能团的二烷氧羰基甲基二硒醚，提供了一种新的合成二烷氧羰基甲基二硒醚的简便方法，且反应具有条件温和、产率高、原料易得和选择性好等优点。

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。

In order to investigate the mechanism for this reac-tion, methyl α-bromoacetate or ethyl α-bromoacetate as starting material was added to the solution of phenyl selenoamide in ethanol in 1∶1 or 2∶1 molar ratio under the neutral condition at room temperature. The results indicated that the same product bis or bis diselenide was formed. Byproduct ethyl benzoate was also separated.

为了研究该反应机理，选择α-溴代乙酸甲酯或α-溴代乙酸乙酯在无催化剂、中性条件下，乙醇溶液中与苯基硒代酰胺室温下反应，投料比为1∶1和2∶1，结果也都生成了同一类产物二甲氧羰基甲基二硒醚或二乙氧羰基甲基二硒醚，同时还分离得到了相应的副产物苯甲酸乙酯。

N-propyl-4-(N-methylacryloxy-ethyl)amino-1,8-naphthalimide was synthesized and used for determination of picric acid.

合成了N-丙基-4-(N-甲基丙烯酰基氧乙基)氨基-1，8-萘酰亚胺，研制出了苦味酸荧光光纤传感器，可间接测定药片中磷酸氯喹和水样中苦味酸的含量。

β-（3,5-Diterbutyl-4-hydroxyphenyl） propionyl chloride is synthesized with 3,5-methyl propionate as raw material via hydrolytic reaction and replacement reaction,and the replacement reaction conditions were explored.

摘 要：以β-（3，5-二叔丁基-4-羟基苯基）丙酸甲酯为原料，通过水解反应和酰氯合成反应合成了抗氧剂中间体β-（3，5-二叔丁基-4-羟基苯基）丙酰氯。

The stereochemical structures of two new compounds, 5-(3-chlorophenyl)-2-furfur-aldehyde-N-4-methylphenyloxyacetylhydrazone and 5-(3-chlorophenyl)-2-furfuraldehyde-N-4-nitrophenyloxyacetylhydrazone, were determined by DPFGSE-NOE experiments performed in DMSO-d\-6 at 25 ℃ and variable-temperature ~1H NMR The ~1H chemical shifts of the compounds were completely assigned at 25 ℃ and 90

利用变温实验和DPFGSE NOE实验，确定了 5 (3 氯苯基) 2 呋喃甲醛 N 4 甲基苯氧乙酰腙和5 (3 氯苯基) 2 呋喃甲醛 N 4 硝基苯氧乙酰腙两个新化合物25 ℃时在二甲基亚砜中的空间构型，并对这两个新化合物在 25 ℃和 90 ℃时的质子的化学位移进行了全归属。

Respectively, glutamic acid derivatized β-CD has been synthesized with epoxy chloropropane as the intermediate, a water-insoluble yellow liquid was got after the acetylating of the by using acetic anhydride, which was used as a novel gas chromatographic CSP; A water-soluble β-CD polymer cross-linked with epoxy chloropropane has been synthesized, and the derivatives of β-CD polymer were synthesized by its alkylating and acetylating. The different β-CD derivatives were coated on silica capillary columns by dynamic method, the chromatographic properties and retention behaviors of the fused silica capillary columns were studied, the results showed that the β-CD derivatives had good stereoselectivity and separation results to some compounds, especially to various positional isomers and enantiomers.

本文还分别以环氧氯丙烷为中间体，合成了七{2，6-二-O-[3-(1，3-二羟基丙氨酸)]}-β-环糊精，再用醋酸酐将其乙酰化，得到了一种淡黄色粘稠液体，合成了一种新型的环糊精衍生物；以环氧氯丙烷作交联剂合成了一种水溶性的β-环糊精聚合物，再将其烷基化和酰基化，合成了β-环糊精聚合物的不同衍生物，用动态法将不同类型的β-环糊精衍生物涂渍在石英毛细管柱上，通过对所制备柱柱性能的测试和对一系列化合物的分离和保留行为的研究，结果表明所合成的β-环糊精衍生物对各类化合物，特别是对位置异构体和对映异构体具有较好的分离效果，显示了很强的立体选择性。

For a big chunk of credit-card losses; the number of filings (and thus charge-off rates) would be rising again, whether

年美国个人破产法的一个改动使得破产登记急速下降，而后引起了信用卡大规模的亏损。

Eph. 4:23 And that you be renewed in the spirit of your mind

弗四23 而在你们心思的灵里得以更新