C_(59)F_(2n)HN(n=1,2)异构体的结构与稳定性的理论研究

分别用MNDO和AM1两种半经验方法,对C59F2nHN (n = 1, 2) 的异构体进行几何构型全优化,结合频率分析及HF/6-31G单点能计算,确定了各异构体的基态结构及其相对稳定性。计算结果表明,C59HN的F加成物的立体选择性规律与C60的不同,最稳定异构体不是1-2加成物。C59F2HN的最稳定异构体是1-4加成的6, 18-或12, 15-异构体; C59F4HN的最稳定异构体是1-4,1-4加成的6, 18; 12, 15-异构体,其能量远小于其它各异构体的能量。N原子取代碳笼骨架C原子后,改变了碳笼F加成物的立体选择性规律。     

煤炭码头船货匹配下泊位动态分配多目标优化模型及算法

本文针对输出型煤炭码头船货匹配下泊位动态分配问题,构建了堆场-取装线-泊位-船舶联合分配优化数学模型,并设计了采用仿真推演策略解码的遗传算法求解。首先,综合考虑船舶、泊位、堆场、取装线、煤种、航道开放时间和装船作业规则等要素,以船舶在港时间最短和作业效率最大为目标建立了相应的多约束多目标优化模型。然后,综合多目标优化、遗传算法以及仿真推演技术,设计了相应的遗传算法求解,包括:组合式编码、采用仿真推演策略的解码方法,追加了具有合法性检查的染色体生成算法,设计了采用多种策略的遗传操作等。最后实例表明,本算法的执行效率高而且优化效果好。     

A Novel Proton Sensor with Luminescence and Color Signaling Based on Platinum(II) Terpyridyl Acetylide Complex

Molecular switches that are controllable, reversible and readable at molecular level are an essential compo-nent of molecular electronics1 and chemical sensors.2-6 Of particular interest are the molecules which show dramatic and reversible changes in color and/or lumi-nescence in visible spectral region upon exposure to specific substrates. A number of chromophore- spacer-receptor systems that can selectively recognize specific guest molecules at their receptor site and pro-duce measurable col…     

Versatile photosensitization system for 1O2-mediated oxidation of alkenes based on nafion-supported platinum(II) terpyridyl acetylide complex

[structure: see text] Platinum(II) terpyridyl acetylide complex (1) was incorporated into Nafion membranes as a photosensitizer, and the Nafion was immersed in an aqueous or organic solution of 7-dehydrocholesterol, alpha-pinene, or cyclopentadiene. This photosensitizer system can generate singlet oxygen ((1)O(2)) in high quantum yield to oxidize the alkenes in the solution outside the Nafion and can be easily removed from the reaction vessel at the end of the photooxidation.     

Synthesis and Luminescent Properties of an Acetylide-Bridged Dinuclear Platinum(II) Terpyridyl Complex

Introduction Luminescent coordinatively unsaturated platinum(II) complexes are appealing from photochemical and pho-tophysical perspective.1,2 In particular, platinum(II) ter-pyridyl complexes have attracted considerable attention due to their rich spectroscopic2a-d and biological proper-ties.2a,e-g However, the development of the photochem-istry of these complexes is limited by their short-lived MLCT excited state in solution at room temperature. The lack of emission originates from low-l…     

脱色阴离子交换剂的再生研究

提出一种新的离子交换剂再生理论，即吸附物的脱附依靠离子交换和络合的协同效应完成．以二价钙离子为再生剂，对糖液脱色用的阴离子交换树脂和阴离子交换纤维进行再生，并与传统的碱性钠盐相比较，研究证明钙离子为再生剂的工艺，具有低成本、无污染的特点．     

Confined space-controlled hydroperoxidation of trisubstituted alkenes adsorbed on pentasil zeolites

Photosensitized oxidation of trialkylalkenes 2-methyl-2-pentene (1), 1-methylcyclohexene (2), trans-3-methyl-2-pentene (3), cis-3-methyl-2-pentene (4), and 2-methyl-2-butene (5) included in the internal framework of Na-ZSM-5 zeolites was investigated. The zeolite samples having adsorbed the alkenes were suspended in isooctane, and the sensitizer, tetraphenylporphyrin (TPP), was dissolved in the solution. Singlet oxygen produced in the solution diffused into the internal framework of the zeolites and reacted with alkenes. For all the substrates studied, the ene-type allylic hydroperoxides were obtained in a highly regioselective manner. The regiochemistry for 1-4 in favor of the allylic hydrogen abstraction from the largest substituents is in contrast to their photooxidation within the dye-supported zeolite Na-Y, where the secondary hydroperoxides are preferentially produced. The tight confinement of the alkenes within the narrow channels of the ZSM-5 zeolites is likely to be responsible for this selectivity.     

Zr柱撑蒙脱土上负载稀土铈及铜铈催化剂的制备与表征

The Zr-pillaraed montmorillonite supported Ce and Cu-Ce catalysts were prepared by impregnation method. The performance of the catalysts was evaluated via the catalytic oxidation of volatile organic compounds (acetone, ethyl acetate, and toluene). The results showed that after supporting with Ce and Cu-Ce, the catalysts had a better reducibility. Moreover, the surface areas of the samples were increased. In addition，it was found that the Zr-pillared montmorillonite supported Cu-Ce catalysts had a higher activity and the reaction temperature decreased by 150～200 ℃ compared with the sample without Cu-Ce modification.     

C60,C70与过氧苯甲酰反应的动力学研究

Ｃ_（６０）、Ｃ_（７０）与过氧苯甲酰反应的动力学研究胡波，薛万华，张法义，尚振锋，马克勤，臧雅茹，赵学庄（南开大学化学系，天津，３０００７１）关键词Ｃ_（６０），Ｃ_（７０），动力学Ｋｒａｔｓｃｈｍｅｒ等人［１］的发现使制备宏观量的Ｃ（６０）和Ｃ（７０...     

Removal of Endotoxin from Human Serum Albumin Solutions by Hydrophobic and Cationic Charged Membrane

Removal of end6toxin from medicine injection is very important, becauseendotoxin withpotential biological activity causes pyrogenic and shock reactions in' mammals-'on...intravenous injection even as law as "an6gram amounts. Endotoxin, a constituent ofpotential contaminant of physiological fluids and aqueous solutions 'and very stable atextreme temperature and PH values. For removing endotoxin from solutions ofbiomolecules, such as HSA, adsorption techniques are usedl.' Many methods forendot…