Surface of room temperature ionic liquid [bmim][PF6] studied by polarization- and experimental configuration-dependent sum frequency generation vibrational spectroscopy

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.     

Mass Spectral Fragmentation of (S,S)-N,N′-Bis [1-(hydroxymethyl)alkyl]anthracene/Naphthalene-1,8-dicarboxamides under Electron Impact Ionization Conditions

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…     

广义分解定理与两个不等式

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.     

正态分布下任意秩有限总体中的Minimax预测

对于任意秩有限总体,在二次损失下,有关文献已给出了线性可预测变量在齐次线性预测类中的唯一线性Minimax预测．本文在正态假设下,证明了这个线性Minimax预测也是线性可预测变量在一切预测类中的唯一Minimax预测．     

Shape Optimization for Semi-Linear Elliptic Equations Based on an Embedding Domain Method

We study a class of shape optimization problems for semi-linear elliptic equations with Dirichlet boundary conditions in smooth domains in ℝ². A part of the boundary of the domain is variable as the graph of a smooth function. The problem is equivalently reformulated on a fixed domain. Continuity of the solution to the state equation with respect to domain variations is shown. This is used to obtain differentiability in the general case, and moreover a useful formula for the gradient of the cost functional in the case where the principal part of the differential operator is the Laplacian. Online publication 23 January 2004.     

Identification of micro-scale calorimetric devices II

The miniaturized calorimetric devices furnish a reduced working flat surface and permits measurements with extremely low-mass quantities. The experimental sensitivity shows relevant position dependence with x-y surface coordinates and with z-distance. The device identification is realized via a 2-D model based in Fourier general equation. Using the Marquardt method the experimental flat surface device can be identified and the fitted parameters used to simulate the behavior of the experimental system. From the model, the effects of several dissipation configurations can be evaluated. Also, via the RC-analogy, a way to 3-D experimental devices is roughly described. This revised version was published online in July 2006 with corrections to the Cover Date.     

完全可分的三元系TS(v,4)的支撑集

§ 1　 IntroductionA triple system of order v and indexλ,denoted by TS(v,λ) ,is a collection of3- ele-mentsubsets Aof a v- set X,so thatevery 2 - subsetof X appears in preciselyλ subsets of A.L etλ≥ 2 and (X,A) be a TS(v,λ) .If Acan be partitioned into t(≥ 2 ) parts A1,A2 ,...,Atsuch that each (X,Ai) is a TS(v,λi) for 1≤ i≤ t,then (X,A) is called de-composable.Otherwise it is indecomposable.If t=λ,λi=1for 1≤ i≤ t,the TS(v,λ) (X,A) is called completely decomposable.It …     

ULTIMATE BOUNDEDNESS FOR A DIFFERENTIAL DELAY MODEL

This paper considers the scalar differential delay equation x(t) = -μx(t)-f(x(t-Τ(t)), t). By using the mapping method we obtain that the solutionswill be ultimately in some interval.     

半参数回归模型中小波估计的随机加权逼近速度

把小波光滑方法和随机加权方法结合在一起，获得了半参数回归模型中参数分量的小波估计的随机加权逼近速度为σ(n^-1/2)。因此，从大样本意义上说，小波光滑方法和随机加权方法对半参数回归模型是可用的。     

Original position statistic distribution analysis (original position analysis)——A new analytical method in research and quality evaluation of materials

The property of the material is closely related to its chemical compositions and microstruc-tures, which are the important parameters in the judgement of the quality of the material. The conventional chemical composition content of the material is an average value of the chemical composition of the whole material tested or the content of a fix position. Although it is still neces-sary to further improve these conventional methods, there are mature and systematic methods for analyzing the conve…