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1.
Understanding and control of the surface properties such as molecular orientations are of great importance in numerous applications of ionic liquids. However, there remain discrepancies among the previous experimental and theoretical studies on the surface orientation and structures of room temperature ionic liquids(RTIL) systems. In this article, the orientation of 1-butyl-3-methylimidazolium([bmin]) cation at the air/liquid interface of a characteristic RTIL, 1-butyl-3-methylimidazolium hexafluorophosphate([bmim][PF6]), was investigated by the sum frequency generation vibrational spectroscopy(SFG-VS). Detailed polarization and experimental configuration analyses of the SFG-VS spectra showed the possibility of a small spectral splitting in the CH3 symmetric stretching region, which can be further attributed to the probable existence of multiple orientations for the interfacial [bmim] cations. In addition, the(N)–CH3 vibrations were absent, ruling out the prediction by several recent molecular dynamics simulations which state that portions of the [bmim] cations orient with a standing-up(N)–CH3 group at the ionic liquid surface. Hence, new realistic theoretical models have to be developed to reflect the complex nature of the ionic liquid surface. 相似文献
2.
Introduction In the previous studies on the oxidation reaction,peroxydisulfate was widely used as an oxidizingagent.1-5 One of the advantages of this oxidant lies in itsstability in a wide range of pH values. The reaction be-tween Fe(CN)5L3- (L=N-aromatic heterocyclic li-gands) and S2O8 2- has been proved to proceed throughan outer-sphere electron transfer mechanism.5 For a re-action [(Eq. (1)] to be under an outer-sphere mechanismthe steps involved are the formation of a reactant … 相似文献
3.
JIAO Peng ZHANG Qi-han XU Jia-xi+{**} Key Laboratory of Bioorganic Chemistry Molecular Engineering of Ministry of Education College of Chemistry Molecular Engineering Peking University Beijing China 《高等学校化学研究》2006,(6)
IntroductionN,N′-Bis [1-( hydroxymethyl) alkyl] dicarboxa-mides are important intermediates for the syntheses ofbis-oxazolines, which are a class of the most importantand widely used ligands in catalytic asymmetric reac-tions[1,2]. On determining the str… 相似文献
4.
锂锰尖晶石红外光谱的研究 总被引:10,自引:1,他引:9
本文对锂锰尖晶石的红外光谱进行了研究。由于锂锰尖晶石的晶体结构属于Fd3m空间群,锂离子占据四面体空隙(8a位置),锰离子占据八面体空隙(16d位置)。根据群论的知识,对锂锰尖晶石晶体中离子的振动方式与红外活性之间的内在关系进行了讨论。并列出了锂锰尖晶石的红外光谱实验数据。通过理论分析,我们推断:位于618.6和501.5cm~(-1)的红外吸收带分别来源于Mn(Ⅳ)-O和Mn(Ⅲ)-O键在晶体中的不对称伸缩振动(单元为Mn(Ⅳ)O_6和Mn(Ⅲ)O_6八面体),位于1124cm~(-1)的弱红外吸收带来源于Li-O键的不对称伸缩(单元为LiO_4四面体)。还有一些低于400cm~(-1)的可能吸收带在400~4000cm~(-1)范围内未能检测到。这一结论的可靠性通过锂锰尖晶石和掺杂的锂锰尖晶石的红外光谱实验数据得到证实。 相似文献
5.
LI Ya-feng~ ** ZHANG Li-mei~ WU Lei-lei~ WANG Sheng-hai~ WANG Hai-lian~ SHANG Xuan-xuan~ . College of Chemistry Molecular Engineering . College of Mathematics Physics Qingdao University of Science & Technology Qingdao P. R. China 《高等学校化学研究》2006,(6)
IntroductionThe interest in polyoxometalates that are widelyused in medical chemistry, catalyst reactions, and ma-terial sciences stems from their complicated aggregatesformed by means of corner-, edge- and face-sha-ring[1—4]. The exploitation of new str… 相似文献
6.
当离子蒸气冷凝形成团簇时,其结构表现出特定的规律。文中对不同大小不同形状的氯化钠团簇结构与结合能进行了计算,以求揭示离子蒸气冷凝形成团簇的一些规律,并与实验结果进行对照。 相似文献
7.
8.
LiZHANG NaLI FengLinZHAO KeAnLI 《中国化学快报》2004,15(6):671-674
The interaction between heparin and neutral red was investigated by molecular spectroscopic methods. The change of all spectra suggested that positively charged neutral red had interacted with negatively charged heparin. The study of influence factors indicated that electrostatic force and hydrophobic bond might be involved in the interaction. The total binding number per disaccharide unit and intrinsic binding constant were obtained using Scatchard model. 相似文献
9.
WANG Jingping LI Jie & NIU Jingyang Institute of Molecular Crystal Engineering Institute of Chemistry Chemical Engineering Henan University Kaifeng China 《中国科学B辑(英文版)》2006,(5)
A two-dimensional network compound [Ce(DMF)4(H2O)][α-BW12O40]·H2O·(HDMA)2 (HDMA = protoned dimethylamine, DMF = N,N-dimethylformamide) was synthesized from α-H5BW12O40·nH2O, Ce(NO3)3·6H2O and DMF and characterized by IR, UV spectra and TG-DTA. The result of the X-ray single crystal diffraction indicates that the crystal is monoclinic, space group P21/n, with unit cell dimensional: a = 1.1983(3), b = 2.4216(5), c = 1.9517(4) nm, β = 92.91(3)°, Z = 4, R1 = 0.07710, wR2 = 0.1416. Structural analysis indicates that every [Ce(DMF)4(H2O)]3 building block is surrounded by three adjacent [α-BW12O40]5- polyanions, meanwhile, every [α-BW12O40]5- polyanion interconnects with three neighboring [Ce(DMF)4(H2O)]3 subunits, by making use of which two-dimensional network structure can be constructed. The result of thermogravimetric analysis manifests that the title compound has two-stage weight loss and the decomposition temperature of the title polyanionic framework is 560℃ . The electrochemical analysis shows the title polyanion has three-step redox processes in the pH = 4―7 media. 相似文献
10.
Synthesis of a Photolabeling Probe for the Study of Antiviral Mechanism of Ribavirin 总被引:1,自引:0,他引:1
QiongYouwu XunZHU JinQiaoWAN FanQiQU LingPENG 《中国化学快报》2004,15(8):907-910
Ribavirin has been used in urgency to treat SARS patients recently. In order to study its antiviral mechanism by photolabeling approach, we have synthesized and characterized 5-azido-1-β-D-ribofuranosyl-1,2,4-triazole-3-carboxiamide 1 as a photolabeling probe of ribavirin. The azidotriazole nucleoside showed rapid and clean photochemical reaction, suggesting that 1 is a promising probe to study the antiviral mechanism ofribarivin by photolabeling. 相似文献