金溶胶中邻羟基苯甲酸吸附行为的密度泛函理论与实验研究

研究了邻羟基苯甲酸(OHBA)的常规拉曼散射(NRS)光谱以及其吸附在Au纳米颗粒上的表面增强拉曼散射(SERS)光谱。以氯金酸为原料,柠檬酸三钠为还原剂,用化学还原法制备了球形的金纳米粒子溶胶,采用激光显微拉曼光谱仪(激发波长为785 nm),测定OHBA分子的NRS光谱及其吸附在Au纳米颗粒上的SERS光谱。同时,应用密度泛函理论(DFT),在B3LYP/6-31+G**(C,H,O)/LANL2DZ(Au)水平上,对OHBA分子进行了结构优化,在此基础上计算了OHBA分子的NRS光谱以及其吸附在Au纳米颗粒上两种不同吸附构型下的SERS光谱,并和实验值进行比较。结果表明,OHBA分子通过羧基吸附构型的计算值比通过羟基吸附构型的计算值与实验值符合的更好。最后,利用GaussView可视化软件对其振动模式进行了全面归属。通过对邻羟基苯甲酸分子拉曼谱峰的详细指认能够得出：Au溶胶中的邻羟基苯甲酸分子,是通过羧基倾斜地吸附在Au纳米颗粒表面的。可视化软件直观形象地展示出了该分子的结构特征和分子基团振动情况,对其振动峰位的归属提供了重要依据。本文工作对推进邻羟基苯甲酸在生物医药等领域进一步的应用具有重要作用。     

聚丙烯-二苯氨基脲树脂分离富集原子吸收法测定地质样品中的金

研究了聚丙烯 -二苯氨基脲树脂的合成及其分离富集样品中痕量金的条件。在 p H为 3.0的 HCl介质中 ,金定量吸附在聚丙烯 -二苯氨基脲树脂上 ,3%硫脲 - 0 .1 mol/ L HCl溶液洗脱 ,火焰原子吸收光谱法测定。回收率在 91 .6 %— 1 0 1 .6 %之间。可用于实际地质样品中贵金属的分离富集与测定。     

五灵脂总黄酮纯化及清除DPPH自由基

研究大孔吸附树脂纯化五灵脂总黄酮的工艺及清除DPPH自由基能力.通过静态吸附-解吸实验比较了8种不同类型树脂的吸附率和解吸率,将筛选出最优树脂进行了静态与动态吸附-解吸条件探讨.NKA-2树脂可用于五灵脂黄酮的纯化,其最佳吸附洗脱工艺为：pH为2.0-3.0、黄酮质量浓度为0.234mg/mL,用40mL pH为2.0-3.0的95％乙醇进行洗脱,吸附和解吸流速均为1mL/min,此条件下得到吸附量、解吸率、黄酮纯度分别为3.30mg、96.01％、83.12％.纯化后的黄酮溶液清除DPPH自由基能力提高了55.62％.NKA-2树脂是纯化五灵脂总黄酮的理想树脂.     

壳聚糖的化学改性及其谱学研究

以壳聚糖(CTS)与硫氰酸铵和氯乙酸反应,合成了带有硫脲基和羧基双官能团的中间产物,再经戊二醛交联,制备了水不溶性的可用于处理含金属废水的颗粒状树脂.用FT-IR进行了表征,表明-HN-C(S)-NH-CH2-COOH基团接枝到CTS链上并形成交联.吸附实验表明,该树脂对Cd2 的吸附量(2.248mmol·g-1)比Mg2 (1.035mm0l·g-1)高得多.再生3次后的树脂仍然具有良好的吸附性能.     

邻氯苯甲酰肼缩水杨醛Schiff碱及其配合物的合成与表征

合成了邻氯苯甲酰肼缩水杨醛及Zn()、Co()、Ni()配合物,通过元素分析、红外光谱、紫外光谱、核磁共振氢谱对化合物进行了表征,用X射线单晶衍射测定邻氯苯甲酰肼缩水杨醛的晶体结构。     

1,11,15,25-四羟基-4,8,18,22-二（桥联二丙羧基）酞菁铜的合成及性质研究

对新型取代基酞菁和酞菁晶体合成和性质进行了研究。因为酞菁在信息、医疗、化工等众多领域有很广泛的应用,所以近百年来一直是科学家研究的热点课题。酞菁经过近百年的研究,科学家已经合成了上万种酞菁衍生物,但是,随着科技的不断进步,人类社会不断发展的需求,具有新特性的新型酞菁的获得仍是相关科技工作者孜孜以求的目标。为此,在本论文中,我们改进了合成方法,合成了新型的桥联酞菁材料：1,11,15,25-四羟基-4,8,18,22-二（桥联二丙羧基）酞菁铜,表征其结构。并研究电化学性质。首先以丙二酸和3,6-二羟基邻苯二腈为起始原料,以水为溶剂,加入浓硫酸作为催化剂,先合成前体,即丙二酸3,3′-二(6–羟基邻苯二腈)脂。然后再用丙二酸 3,3′-二(6-羟基邻苯二腈)脂与一水合乙酸铜,以正戊醇为溶剂,以DBU为催化剂,合成了1,11,15,25-四羟基-4,8,18,22-二（桥联二丙羧基）酞菁铜,其分子式是C₃₈H₁₆N₈O₁₂Cu。对1,11,15,25-四羟基-4,8,18,22–二（桥联二丙羧基）酞菁铜进行紫外吸收及荧光光谱测定,证明合成产物是目标产物,并研究了1,11,15,25-四羟基-4,8,18,22-二（桥联二丙羧基）酞菁铜的电化学性质。     

红外光谱法研究液态邻位取代的苯甲酸类衍生物的氢键行为

用红外光谱法研究了高温下熔融态的邻位取代苯甲酸衍生物的氢键行为。邻卤(F,Cl,Br,I)苯甲酸在固态时以羧基二聚体形式存在,熔融后二聚体部分解聚,仍有部分分子以二聚体形式存在。固态和液态邻乙氧基苯甲酸的红外吸收无明显差异,表明两者均为分子内氢键的结构。固态邻甲氧基苯甲酸以羧基二聚体形式存在,其熔融后二聚体全部解聚形成了分子内氢键,即甲氧基的氧与羧基的氢形成了氢键。     

基于傅里叶变换红外光谱的灭活酿酒酵母菌对展青霉素的吸附机理分析

采用不同化学屏蔽方法和傅里叶变换红外光谱（FTIR）分析,对灭活酿酒酵母菌吸附展青霉素的机理进行了研究。化学屏蔽法与酿酒酵母菌对展青霉素的吸附结果表明：酿酒酵母菌经过丙酮和NaOH处理后对展青霉素的吸附明显增加,而经过氨基甲基化和羧基酯化处理的酵母菌对展青霉素的吸附能力显著下降,细胞壁上的羧基和氨基参与了吸附过程。红外光谱分析结果表明,吸附前后红外光谱图发生了一些变化,与变化有关的主要是存在于细胞壁蛋白质和糖类上的氨基、羧基和羟基。     

基于DFT的间羟基苯甲酸分子表面增强拉曼光谱研究

本文研究了间羟基苯甲酸(m-hydroxybenzoic acid,MHBA)的常规拉曼散射(normal Raman scattering,NRS)光谱及其吸附在Ag纳米颗粒上的表面增强拉曼散射(surface-enhanced Raman scattering,SERS)光谱。采用密度泛函理论(density functional theory,DFT),在B3LYP/6-31+G**(C、H、O)/LANL2DZ(Ag)水平上,对MHBA分子进行了几何结构优化,在此基础上计算了MHBA分子的NRS光谱以及其吸附在Ag纳米颗粒上两种不同吸附构型下的SERS光谱,并和实验值进行比较。结果表明,间羟基苯甲酸分子通过羧基与羟基共同吸附构型的计算结果比该分子通过羧基吸附构型的计算结果更符合实验值。最后,利用GaussView可视化软件对其振动模式进行了全面归属。     

混配配合物[Co(cpida)(C7H5N2)2]·C7H5N2·5H2O

在溶液中用N-(邻苯甲酸基)-亚氨基二乙酸、苯并咪唑和Co(Ac)2·4H2O进行自组装合成了标题三元金属混配配合物.用元素分析、红外光谱、单晶衍射对配合物的组成和结构进行了表征,确定配体N-(邻苯甲酸基)-亚氨基二乙酸中的3个羧基为单齿形式与中心金属钴离子配位.     

Solid phase vs. solution phase differential behavior: Formation of a salicylate structure from a malondialdehyde moiety

Treatment of 2, solid supported synthetic equivalent of 3-formylchromone (4), and ethyl acetoacetate affords the salicylate structure 8 instead of the previously reported isophtalate 7. This is the first formation of a salicylate by a double carbonyl condensation of a malondialdehyde moiety ever reported.     

Synthesis under Pressure of Potential Precursors of CN x Materials Based on Melamine and Phenolic Resins

The cross-linking under pressure of a mixture of novolak and melamine resins with a weight ratio of 1 has been investigated by means of several techniques, including DSC, TGA, XRD, and IR. Four samples were prepared under varying pressure and temperature. The application of pressure to the reaction vessel favored the formation of a more structured cross-linked resin. The sample cross-linked at both the highest temperature and pressure levels exhibited higher structuring effects than the others. Moreover, this sample exhibited much higher thermal stability than the others. This achievement may allow us to open the pathway toward new precursors of structured CN _x materials.     

Preparation and Characterization of Two Types of Cyanate Ester-epoxy Resin Interpenetrating Network Matrix/Butadiene-acrylonitrile Rubber Composites

Two types of butadiene-acrylonitrile rubbers (i.e., carboxyl randomized butadiene-acrylonitrile rubber (CRBN) and hydroxyl terminated butadiene-acrylonitrile rubber (HTBN)) have been used for modifying an interpenetrating network of cyanate ester (CE)/epoxy resin (EP) (70/30). The toughness of the matrix can be improved effectively with addition of rubbers. The values of impact strength (11.6 KJ/m²) show a maximum for the CE/EP/HTBN (70/30/8) blend. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) results show that CRBN and HTBN have a different dispersion state in the CE/EP matrix. CRBN aggregates to form regular spheres with a size of about 1 μm. HTBN disperse homogeneously with its size of the nano-level (about 10 nm). Fourier transform infrared spectrum (FTIR) and differential scanning calorimetric (DSC) analysis shows that the CRBN has higher reactivity than HTBN. The thermal gravimetric analysis (TGA) results shows that T ₁₀ (temperature of 10% weight loss) of the CE/EP system decreases with the addition of rubbers. For the CE/EP/CRBN system, both T ₃₀ (temperature of 30% weight loss) and T ₅₀ (temperature of 50% weight loss) are lower than neat CE/EP. However, for the CE/EP/HTBN system, both T ₃₀ and T ₅₀ are near to neat CE/EP. Different reactivity and compatibility between the rubbers and CE/EP matrix is the main determining factor for the thermal stability of the blends.     

光学超精磨片结合剂树脂及其形态的选择

本文介绍了选用单组份环氧树脂、热塑性酚醛树脂并添加适量的缩醛树脂配制成树脂溶液的形态作为结合剂，制作光学超精磨片。采用冷压成型和后固化处理的加工方法，较好的满足了光学超精磨片的成型性能和工艺性能要求。     

脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别

本文对脂松香、石炭酸松香树脂和马林酸松香树脂的红外光谱剖析及鉴别，方法快速，简便，准确。     

超声波在树脂再生中的应用

本文阐述了超声波用于树脂再生的最新技术，超声脱附以及它的原理一超声场聚能效应。该方法和传统的化学方法相比较：不仅具有操作简单，化学药品消耗少，排污量少等优点。而且还能增加树脂的脱附速率，减少脱附时间，增加解吸平衡物的浓度。本文综述了在这一领域的最近研究进展，各种不同频率和功率对树脂再生效果的影响，为该领域的研究工作提供参考。     

Superhydrophobic and luminescent methylsilicone resin film

The europium complex, Eu(BA)₃Phen was introduced to the methylsilicone resin film, the investigation showed that the variation of the morphology and surface components of the film was not obvious comparing to methylsilicone resin film, and the superhydrophobicity of the as-prepared film was still retained. Furthermore, the film showed excellent luminescent property, the red light can be observed.     

印度尼西亚化石树脂的光致发光特征研究

紫外灯下,化石树脂常见荧光现象,但其磷光现象仍有待表征与研究.将印度尼西亚产出的类似多米尼加蓝珀的化石树脂分为白色包体(PartⅠ)、暗色包体(PartⅡ)和基底(PartⅢ)三个部分,使用红外光谱确定其植物来源,借助三维荧光光谱仪表征化石树脂的光致发光现象(包括荧光和磷光),并探讨印尼化石树脂发光现象随地质过程变化的...     

新型醇胺螯合树脂的合成及其红外光谱研究

合成了两种具有醇胺结构的新型螯合树脂，测定了该树脂及其合成中间体的红外光谱，并借助水解，成盐及羟值测定等化学方法对其主要吸收谱带作了归属，确认了其结构。     

Effect of Organic-Mo on the Wear Behavior of Phenolic Resin Composites

Abstract

Organic molybdenum (e.g., molybdenum dialkyldithiocarbamate, Mo-DTC) is a typical additive for liquid lubricants which can produce a significant anti-wear role with only a minor addition. In this article Mo-DTC additives were used to enhance the wear resistance of a phenolic resin. Phenolic/Mo-DTC composites with various Mo-DTC filler ratios were prepared by hot-press molding. The hardness and wear performance of the composites were measured by a Shore durometer and by an M-2000 friction and wear tester, respectively. The results showed that after adding the Mo-DTC filler, both the hardness and the anti-wear properties of the composites materials were improved. Under the condition of high-speed with a smooth ring, the wear scar length for the sample with 1% Mo-DTC content decreased by 45.6% compared with that of the neat phenolic resin whereas for a wire rope ring a decrease of 16% was observed for 0.5% Mo-DTC. Based on the wear morphology of the composites, the wear mechanisms of the designed phenolic/Mo-DTC composites were determined.