Computation of auxiliary functions in STO molecular integrals up to arbitrary accuracy. I. evaluation of incomplete gamma function En(x) by forward recursion

A new inequality and an approximate relation of incomplete Gamma function E_n(x) are derived in this paper. Applying both to simplify the error analysis on the recursive algorithm of E_n(x), we analytically derived a criterion about relative error. The criterion decides whether the forward recursive relation can be used to compute {E_n(x), n = 0, 1, ?, N} with an acceptable loss of significant figures. Further analytical exploration leads to another criterion that decides whether the group of E_n(x) can be evaluated with an acceptable absolute error by the same methods. Both criteria are not only superior to those given in previous work by other authors, but also strongly supported by our numerical experiments. A strategy is illustrated to explain how to apply both criteria to evaluate molecular integral over Slater-type orbitals. © 1993 John Wiley & Sons, Inc.     

Photochemical modification and patterning of polymer surfaces by surface adsorption of photoactive block copolymers

We report a simple photolithographic approach for the creation and micropatterning of chemical functionality on polymer surfaces by use of surface-active block copolymers that contain protected photoactive functional groups. The block copolymers self-assemble at the substrate-air interface to generate a surface that is initially hydrophobic with low surface tension but that can be rendered hydrophilic and functional by photodeprotection with UV radiation. The block copolymer employed, poly(styrene-b-tert butyl acrylate), segregates preferentially to the surface of a polystyrene substrate because of the low surface tension of the polyacrylate blocks. The strong adsorption of block copolymers causes a bilayer structure to form presenting a photoactive polyacrylate layer at the surface. In the example described, the tert-butyl ester groups on the polyacrylate blocks are deprotected by exposure to UV radiation in the presence of added photoacid generators to form surface carboxylic acid groups. Surface micropatterns of carboxylic acid groups are generated by UV exposure through a contact mask. The success of surface chemical modification and pattern formation is demonstrated by X-ray photoelectron spectroscopy and contact angle measurements along with imaging by optical and fluorescence microscopy methods. The resultant chemically patterned surfaces are then used to template patterns of various biomolecules by means of selective adsorption, covalent bonding and molecular recognition mechanisms. The surface modification/patterning concept can be applied to virtually any polymeric substrate because protected functional groups have intrinsically low surface tensions, rendering properly designed block copolymers surface active in almost all polymeric substrates.     

Formation and photoluminescence of silver nanoparticles stabilized by a two-armed polymer with a crown ether core

Silver nanoparticles were synthesized by the use of a two-armed polymer with a crown ether core [poly(styrene)]-dibenzo-18-crown-6-[poly(styrene)] based on the flexibility of the polymer chains and the complex effect of crown ether with Ag(+) and Ag. The size of silver nanoparticles could be tailored by controlling the initial concentrations of the polymer and Ag(+), and the molecular weight of the polymer. The emission of silver nanoparticles was blue-shifted, and the intensity of the photoluminescence of silver nanoparticles stabilized by the polymer was significantly increased due to the complex effect between the crown ether embedded in the polymer and the silver nanoparticles.     

铑配合物催化甲醇羰基化反应的性能和机理

本文合成了２－丁酸甲酯吡啶与四羰基二氯二铑形成的螯合形配合物，并用Ｘ射线光电子能谱（ＸＰＳ），红外光谱（ＩＲ）及核磁共振（ＮＭＲ）研究确定了其配位结构特征，通过甲醇羰基化制备乙酸的反应揭示了其结构特征对催化剂活性及稳定性的影响，并提出了可能的反应机理。     

环糊精及其包结物的电化学研究及应用

本文概述了近年来环糊精及其包结物的电化学研究及应用，同时介绍了我们实验室开展的关于环糊精电化学研究的一些工作。     

三苄基氯化锡及其衍生物的合成

三苄基氯化锡最初用格氏法制得。Keiti等曾报道由锡和苄基氯直接制备,这时溶剂对反应的影响很大:用水作溶剂时得到三苄基锡;用甲苯作溶剂时得到二苄基二氯化锡;用正丁醇作溶剂时三苄基氯化锡的产率只有61％。在反应体系中加入KI、KBr或H_3PO_4等催化剂,三苄基氯化锡的产率也只有60％。本文用DMF作溶剂,AlCl_3-I_2作催化剂,并首次在反应体系中加入镁、锌、铝和钠等使副产物氯化亚锡还原成活性很高的金属锡,后者再与等基氯反应,可使三苄基氯化锡的产率提高到91.3％。文中还报导三种尚     

Investigation of the effects of Au-colloid modification on cobalt hexacyanoferrate film growth and mass transport by electrochemical quartz crystal microbalance

The growth of cobalt hexacyanoferrate (CoHCF) films on bare and Au-colloid-modified electrodes in nitrate or sulfate solutions was monitored by electrochemical quartz crystal microbalance. The average efficiency of CoHCF film growth for Au colloid modified electrodes is 23 and 12 ng cm(-2) s(-1) in KNO3 and K2SO4 solutions, respectively, while those values for the bare gold electrode are 15 and 9 ng cm(-2) s(-1), respectively. In K2SO4 solution, the apparent molar masses for the Au-colloid-modified electrode at lower and higher potential is 58.4 and 37.3 g mol(-1), respectively, which is larger than those for the bare gold electrode (51.7 and 26.3 g mol(-1), respectively). The respective results were also obtained in KNO3 solution. Furthermore, the difference of the apparent molar masses at lower and higher potential for Au-colloid-modified electrodes is smaller than that for bare gold electrodes in the same electrolyte. Additionally, the mechanism of charge propagation is dependent on different anions in electrolyte solutions at higher potentials where the second redox reaction of CoHCF occurs. Therefore, the existence of Au colloids can accelerate CoHCF film growth and weaken the effect of anions on mass transport.     

离子选择电极—流动注射分析法动力学测定葡萄糖存在下的果糖

本文将离子电极与流动注射分析相结合，利用３０℃下，在强碱性介质中，果糖和葡萄糖与２，４－二硝基酚钠反应速度明显差异，动力学测定了葡萄糖存在下果糖的含量。自制了２，４－二硝基酚电极作为动力学电位测定用的工作电极。本法测定果糖的范围为０．０２～１．００ｍｏｌ／Ｌ，其ＲＳＤ为４．０％～４．９％，ＲＥ为１．０～５．０％；当Ｃ葡／Ｃ果≤３倍时，葡萄糖的干扰不超过５％；本法也曾成功地用于果葡萄浆测定，其ＲＳＤ     

新显色剂二溴对甲基偶氮甲磺光度测定稀土的研究和应用

研究了新显色剂二溴对甲基偶氮甲磺光度测定铈组稀土总量的方法，在酸性介质中，试剂与以铈组稀土为代表稀土形成蓝色配合物，在６４４ｎｍ有最大吸收，铈含量在０～１５μｇ／２５ｍｌ范围内符合比耳定律，方法应用于钢铁中铈组稀土总量的直接测定，发现其准确性和重视性良好。     

Polymerization of styrene started by free radicals,generated by external force action-chemical potential gradient of the swelling agent — on the PVC/solvent optical phase boundary

Summary There were studied the process of styrene polymerization in PVC swollen surface layer initiated by free radicals generated under the action of chemical potential gradient as an external force. It was found that conversion of styrene into the block copolymer is an diffusion controlled process.

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Zusammenfassung Die Initiation des Prozesses der Polymerization von Styrol in den Oberflächenquellungsschichten von PVC wurde untersucht.Dabei wurde festgestellt, daß die freien Radikale, welche bei Zerreißung von spannungsbeanspruchten Bindungen, wie sie durch Einfluß von äußeren Kräften auf den Gradienten des chemischen Potentials des Quellungsmittels an Oberflächenquell bildungsmittel Polymer entstehen können, Polymerizationsprozesse des olefinischen Quellungsmittels initiieren können.

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Dedicated to ProfessorV. Kellö in celebration of his 60th birthday.