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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
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The First Intramolecular Charge Transfer Transition Based on 2-Ureido-4[1H]-pyrimidinone Binding Module 总被引:1,自引:0,他引:1
The first intramolecular charge transfer transition based on 2-ureido-4[1H]-pyrimidinone binding module was reported. 相似文献
4.
The first hyperpolarizabilities of a series of novel azulenic-barbituric acid chromophores have been studied by using 12 excitation wavelengths, ranging from 900 to 1907 nm. The dispersion relation of the first hyperpolarizabilities of chromophores holds the same tendency as the experimental results. In addition, the static first hyperpolarizability β0 of molecules was calculated by means of the Sum-Over-States (SOS) expression and the two-level formula respectively. The results show that these molecules possess large static first hyperpolarizabilities and the, β0 value increases as the donor or acceptor strength enhances; the distorted degree of molecules has also an important influence on the β0 value. 相似文献
5.
Solid Phase Synthesis of 2-Substituted 1,3-Oxazin-6-ones Using Resin-bound Cyclic Malonic Acid Ester
A facile solid phase synthesis of 2-substituted 1,3-oxazin-6-ones using polymer-supported Meldrum‘s acid has been reported. Reaction of the resin-bound cyclic malonic acid ester with triethyl orthoformate and subsequent double substitution with amide, afforded the corresponding polymer-supported acylaminomethylene cyclic malonic acid ester, which upon thermal treatment led to 1, 3-oxazin-6-ones in good yields and with high purity. 相似文献
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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
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本文给出了Banach空间广义分解定理的一个初等证明,并利用它来证明两个对称不等式.这是首次在Banach空间获得这样的不等式. 相似文献
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为了实验研究粲偶素ψ'级联衰变过程ψ'→γ'xcJ→γ'γJ/ψ,一个用于正确描述全部末态角分布的产生子是必要的.可以通过分析角分布的关联来确定这一过程的多极展开参数(或者等效的螺旋度振幅),而从中可以知道高阶电磁多极矩和相对论修正的贡献,同时可以检验ψ'是不是ψ'(2S)和ψ'(1D)的混合.介绍了一个能完全描述这一过程的角分布的产生子,同时讨论了测量多极参数的测量方法.这些都可以被用在BESⅢ或者CLEOc的分析当中. 相似文献