在非极性溶剂中杂多阴离子—CO络合物的电子光谱

合成了五种取代型杂多化合物：「ＳｉＷ１１Ｏ３９Ｃｏ（Ｈ２Ｏ）」＾６－，「ＧｅＷ１１Ｏ３９Ｃｏ（Ｈ２Ｏ）」＾６－，「ＰＷ１１Ｏ３９Ｃｏ（Ｈ２Ｏ）」＾５－，「Ｐ２Ｗ１７Ｏ６１Ｃｏ（Ｈ２Ｏ）」＾８－，「ＰｗＯ１８Ｏ６８Ｃｏ４（Ｈ２Ｏ）２」＾１０－，通过等离子体、ＩＲ、ＵＶ、极谱、热谱等测试手段对产物进行了表征、并首次报道它们在非极性溶剂中与ＣＯ小分子的作用，实验结果表明，取代型杂多化合物与ＣＯ形成了ＨＰ     

含氧和氮的四氯化钛络合物催化双环戊二烯开环移位聚合 …

报道了ＴｉＣｌ４．２「Ｃ６Ｈ８Ｏ」（１）;ＴｉＣｌ４．２「Ｃ８Ｈ１１Ｎ」（２）;ＴｉＣｌ４．２「Ｏ（ＣＨ２）４ＣＨ２」（３）．ＴｉＣｌ４．２「Ｃ６Ｈ７Ｎ」（４）ＴｉＣｌ４．２「Ｃ５Ｈ５Ｎ」（５）;ＴｉＣｌ４．２「Ｃ４Ｈ８９Ｏ２」（６）催化双环戊二烯开环移位聚合反应并对６个影响因素进行了讨论,由此得到优化的反应条件。     

FitzHugh-Nagumo神经模型中的噪声诱导相变

报道了对称六齿配体Ｎ,Ｎ,Ｎ’－四（２’－苯并咪唑甲基）乙二胺（ＥＤＴＢ）的两种含镍（Ⅱ）配合物「ｉ（ＥＤＴＢ）」（ＣｌＯ４）２．３Ｈ２Ｏ和「Ｎｉ（ＥＤＴＢ）」Ｃｌ２．２Ｈ２Ｏ．３Ｃ２Ｈ５ＯＨ的合成、表征及其对尿素水解的影响。根据配合物元素分析、摩尔电导、紫外－可见（ＵＶ－Ｖｉｓ）、红外（ＩＲ）、ＥＳＲ谱和循环伏安（ＣＶ）等性质与已测Ｘ－射线单晶结构的同种配体含铜（Ⅱ）单核配合物比较,推测此两种配     

两种15—冠—5配合物的合成和物性表征

用凝胶法合成了「Ｎａ（１５Ｃ５）」２「Ｃｏ（ＮＣＳ）４（Ｈ２Ｏ）２」和「Ｎａ（１５Ｃ５）」２「Ｃｒ（ＮＣＳ）４（ＯＨ）（Ｈ２Ｏ）」两种配合物的单昌体，对它们进行了熔点测定，元素分析，红外光谱分析和热分析，对分析结果进行了讨论。     

二环己酮草酰二腙桥联双核钴配合物的合成和抗菌活性

合成了两种含二环己酮草酰二腙桥的新型的新型双核钴配合物「Ｃｏ２（ＢＣＯ）（ｐｈｅｎ）４」（ＣｌＯ４）４和「Ｃｏ２（ＢＣＯ）（ＮＯ２－ｐｈｅｎ）４」（ＣｌＯ４）４,ＢＣＯ＝二环己酮草酰二逐,ｐｈｅｎ＝１,１０－邻菲咯啉,ＮＯ２－ｐｈｅｎ＝５－硝基－１,１０－邻菲咯啉。使用元素分析、ＩＲ、ＵＶ－Ｖｉｓ光谱和摩尔电导测定方法对配合物进行了表征,确定了配合物的组成并推断了Ｃｏ（Ⅱ）离子的配位环境,抗菌活性     

银杏叶中黄酮糖苷化合物的分离鉴定

利用常规的聚酰胺柱层析、ＴＬＣ和ＨＰＬＣ的方法从银杏叶中分离得到５个黄酮糖苷化合物，经ＵＶ、ＨＰＬＣ、ＨＮＭＲ分析鉴定为：芦丁（１），莰菲醇－３－Ｏ（２－Ｏ）－（６－Ｏ－「对－（β－Ｄ－葡萄糖）－Ｏ－反式肉桂酰」－β－Ｄ－葡萄糖）－α－Ｌ０鼠李糖）（２），莰菲醇－３－Ｏ（β－Ｄ－葡萄糖）（３），槲皮素－３－Ｏ－（２－Ｏ－「６－Ｏ－（对－竣工在－反式肉桂酰）－β－Ｄ－葡萄糖」－ａ－Ｌ－鼠李糖），（４     

两亲性杂多酸长碳链季胺盐的合成及LB膜研究

首次合成了两种两亲性Ｋｅｇｇｉｎ结构的杂多酸长链胺盐「（ＣＨ３）３ＮＣ１６Ｈ３３」３ＰＷ１２Ｏ４０和「（ＣＨ３）３ＮＣ１６Ｈ３３」３ＰＭｏ１２Ｏ４０，用元素分析，ＩＣＰ、ＩＲ光谱、ＤＴＡ、Ｘ射线衍射、ＵＶ光谱进行了表征，并用ＬＢ膜技术对其进行了成膜实验，对其在空气／水界面上的单分子行为进行了研究，得到了π－Ａ曲线。实验表明该类化合物有较好的形成单分子膜的性能。     

Co（Ⅲ）TPPS与抗坏血酸C6H8O6的反应动力学研究

在假一级条件下，用ＵＶ－２４０型分光光度计测定Ｃｏ（Ⅲ）ＴＰＰＳ「水溶性５，１０，１５，２０－四－（４－苯磺酸基）卟啉钴」与生物活性物质抗坏血酸Ｃ６Ｈ８Ｏ６的电子转移反应的光谱性质及动力学参数，充分探讨了该体系的氧化还原的动力学规律，实验表明，此反应遵循外环外界电子转移反应机理，为模拟生命活性物质的电子转移反应并揭示其本质提供了理论依据。     

某些腈代及酰胺代多面体硼烷阴离子的电,热性质

本文合成了１１个新的腈代及酰胺代面体硼烷阴离子衍生物Ｍ「ＢｎＨｎ－１ＮＣＲ」和Ｍ「ＢｎＨｎ－１ＮＨ２ＣＯＲ」，并用ＩＲ，ＥＡ，ＵＶ表征其结构。通过对这些化合物的电导及差热性质的研究，揭示了其热稳定性规律和摩尔电导率的变化规律。     

RH生产超低碳钢的工艺优化

通过建立ＲＨ真空处理脱碳数学模，研究了「Ｃ」０、「Ｏ」０、吹氩流量、浸入管内径对脱碳效果的影响，模型计算结果表明，针对某厂ＲＨ处理工艺，若适当提高转炉出钢「Ｃ」，降低出钢「Ｏ」，即可满足钢中「Ｃ」的要求，又可降低脱碳终点「Ｏ」从而减少脱氧合金的消耗。     

两种异喹啉-7-酮的合成、表征及量化计算研究

合成了异喹啉-7-酮衍生物,7H-苯并咪唑[2,1,-a]联苯[de]异喹啉-7-酮(1)和4-溴代-7H-苯并咪唑[2,1,-a]联苯[de]异喹啉-7-酮(2),并用红外、核磁共振、紫外可见光谱和荧光光谱进行了表征.对于这两个化合物,使用密度泛函(DFT)方法,在B3LYP/6-311G**水平上,计算了它们几何结构和原子电荷自然布居分析.使用TD-DFT方法,预测了化合物1和化合物2的电子光谱,结果表明与实验电子光谱相吻合.在萘环的4位处引入Br吸电子基团将会改变化合物1和化合物2电子光谱和荧光光谱峰的强度和位置.     

[Co(pema)(amp)Cl]2+体系配合物的合成分离

合成了[Co（pema）（amp）Cl]^2＋体系配合物,其中pema=N-（2-吡啶基甲基）乙二胺,amp=2-（氨基甲基）吡啶。利用Dowex阳离子交换树脂层析分离得到其中2个几何异构体,将所得其中一异构体（b1）进行平衡水解反应得到6个不同几何异构体,对所得异构体进行了初步表征。     

Synthesis of a symmetrical tetrasubstituted cucurbit[6]uril and its host-guest inclusion complex with 2,2′-bipyridine

Since the structure of the first cucurbituril, a cyclic oligomer of 6 units of glycoluril linked by 12 methylene bridges was determined by Freeman et al. in 1981[1,2], considerable interest has emerged inspired by this new receptor. The receptor properties have been examined in a variety of ways such as polyrotaxanes, molecular neck-laces, rotaxane dendrimers, cyclo-addition reactions which occur more rapidly inside the cavity, and the treatment of effluent from the dye industry[2—12]. Almost…     

Study on fragmentation behavior of taxoids by tandem mass spectrometry

We have studied the fragmentation behavior of positive and negative ions of taxol and 6/8/6 type taxoids, the influence of different substituents on fragmentation, and the correlativity between fragmentation patterns and structure by MS/MS technique with different ionization methods such as FAB-MS, ESI-MS, etc. We have also investigated in detail the fragmentation of various molecular-related ions, such as [M+H]⁺, [M+Na]⁺ and [M-H]⁻ ions, and the formation pathways of characteristic fragment ions. It has been found that there exists some competing reaction between the loss of C-13 side chain and decomposition by loss of acetic acid. In addition, by comparing CID spectra obtained with low- and high-energy collision, it is seen that CID-MS/MS with low-energy collision is more suitable for the study of the structural analysis of small molecules and drug metabolites. The experimental results demonstrate that MS/MS spectra can reflect more effectively the slight difference of structure between the related compounds and their structural characteristic features than MS spectra, and can also provide a beneficial analysis basis for these kinds of compounds.     

氰基桥联铬(Ⅲ)-镍(Ⅱ)和铬(Ⅲ)-铜(Ⅱ)多核配合物的合成、表征和磁性质研究(英文)

合成了配合物［ＭＬ］３［Ｃｒ（ＣＮ）６］２·ｘＨ２Ｏ（Ｍ二Ｎｉ,Ｌ＝三（２－胺基乙基）胺（ｔｒｅｎ）,ｘ＝ Ｏ; Ｍ＝ Ｃｕ, Ｌ＝二丙烯三胺（ ｄｐｔ）, ｘ＝ ８）和［ Ｍ（ ｔｎ）２］２［Ｃｒ（ ＣＮ）６ ］ＣＩＯ４· ＸＨ２ Ｏ（ ｔｎ＝ １, ３－丙二胺,Ｍ＝ Ｎｉ,ｘ＝ Ｏ;Ｍ＝ Ｃｕ,ｘ＝ ２）．用元素分析、ＩＣＰ分析、ＩＲ光谱等对配合物进行了表征,测定了它们的磁性质．变温磁化率研究表明：［Ｃｕ（ｄｐｔ）］３［Ｃｒ（ＣＮ）６］２·８Ｈ２Ｏ中存在弱的铁磁（Ｔ＞ １６．６３Ｋ）和反铁磁（Ｔ＜ １６．６３Ｋ）相互作用;［Ｃｕ（ｔｎ）２］２［Ｃｒ（ＣＮ）６］ＣＩＯ４·２Ｈ２Ｏ中存在反铁磁相互作用（Ｔ＜５．８６Ｋ）．研究发现,这些配合物有两种结构类型：氰基桥联结构和双配合盐结构．     

离子液体[Bmim]Br和[Bmim]PF_6的合成及其物化性质研究

采用超声波辅助法合成离子液体1–丁基–3–甲基咪唑溴盐([Bmim]Br)和1–丁基–3–甲基咪唑六氟磷酸盐([Bmim]PF6),研究了超声处理时间、超声频率和原料物质的量比对[Bmim]Br产率的影响,以及超声处理时间、超声频率和溶剂与[Bmim]Br的质量比对[Bmim]PF6产率的影响.结果表明:超声处理时间、超声频率、原料溴代正丁烷与N–甲基咪唑物质的量比分别为50,min、20,Hz、1.1时,[Bmim]Br产率可达到98.88%;在超声处理时间、超声频率、溶剂与[Bmim]Br的质量比分别为50,min、20,Hz和1.5时,[Bmim]PF6产率可达到86.54%.采用红外光谱、紫外吸收光谱和核磁共振氢谱对[Bmim]Br进行结构表征,同时采用对比法,利用红外光谱、紫外吸收光谱对[Bmim]PF6进行表征,并分别测定了[Bmim]Br和[Bmim]PF6的含水量及其在10~30,℃下的密度和折光率与温度的关系.     

Synthesis of a symmetrical tetrasubstituted cucurbit[6]uril and its host-guest inclusion complex with 2,2′-bipyridine

Synthesis of a symmetrical tetrasubstituted cucurbit[6]uril has been achieved by using the diether of dimethylglycoluril (1) and the dimmer of glycoluril (2). The structure of the symmetrical tetramethylcucurbit[6]uril (TMeQ[6]) has been determined by single crystal X-ray diffraction, ^1H NMR spectroscopy and ESMS. The ^1H NMR spectra of 2,2‘-bipyridine added to TMeQ[6] reveal that the host-guest inclusion complex was easily formed.     

Influence of biodegradation on benzocarbazole distributions in reservoired oils

Partition coefficient difference of benzocarba-zole isomers between oil, water and mineral phase makes them auseful indicator to quantify petroleum migration distance. Because of their nitrogen-heteroatom andannelated aromatic cycles they are generally regarded asbeing more resistant and the effects of biodegradation ontheir concentrations and distributions have not previouslybeen investigated. Reservoir extracts from three wells lo-cated in the Leng43 block of the Liaohe Basin were analyzed to investigate their occurrence and the effect of biodegrada-tion. Both hydrocarbon biomarkers and benzocarbazole isomers show systematical changes with the increase extent of biodegradation in study columns. Carbazole compounds may be biodegraded in a similar way to that observed in aliphatic and aromatic hydrocarbons. The distance from oil water contact is a primary control factor for biodegradation. The concentrations of benzocarbazole isomers show a slight increase in the upper part of the columns then a sharp de-crease towards oil water contact (OWC). Among three iso-mers benzo[a]carbazole seems more susceptible to biode-gradation than other two isomers and benzo[b]carbazole has higher ability to res ist bacterial attack. Benzo[b]carba-zole/benzo- [a]carbazole ratios can sensitively indicate the degree of biodegradation and the benzocarbazole index (BCratio) cannot be directly used as a migration indicator inbiodegraded oils.     

[Co（bamp）（amp）CI]^2＋经式异构体的合成与识别

报道了配合物「Ｃｏ（ｂａｍｐ）（ａｍｐ）ＣＩ」＾２＋经式异构体的合成,并用二维核磁共振谱进行异构体的识别,ａｍｐ中吡啶环对位于氯的异构体是主要产物。     

镍-二硫代乙烯类配合物Rn[Ni(bbdt)2]的电磁学性能研究

在合成Rn[Ni(bbdt)2]系列配合物的基础上,通过EPR谱、XPS谱、变温磁化率和室温电导率的测定。研究了配合物的电磁学性能．结果表明,在Rn[Ni(bbdt)2](n=0,0．5,1,2)系列配合物中,n=0,0．5,1对应的配合物室温EPR谱中有特征的单电子信号;XPS测定的结合能数据说明,中心Ni离子对阴离子部分的荷电量不敏感。而配体S原子的结合能随荷电量有较大变化;n=0,0．5对应的配合物表现出较好的电磁学性能。