Correlation Relationships Between Geometric and Vibrational Parameters of Simple Sulphone Molecules

Empirical correlation relationships are presented between vibrational frequencies and force constants on one hand and bond lengths on the other, characterizing the SO₂ group for a series of simple sulphone molecules.     

基于视觉容差与色调角相关性的色差公式评价

为了研究CIELAB颜色空间中明度、彩度和色调等视觉容差与色调角之间的相关性对基于CIELAB的典型色差公式(CIELAB、CMC、BFD、CIE94、LCD以及CIEDE2000)预测性能的影响,实验选取了具有不同明度和彩度冰平的5个色调环(L*=30,50,70和Cab*=10,20,30),并采用3个不同视觉尺度(△V=3.02,5.92和8.87CIELAB单位)进行视觉评估实验.8名色觉正常观察者根据心理物理学的恒常刺激法原理,在阴极射线管(CRT)显示器上获取了相应颜色中心的明度、彩度和色调视觉容差.对实验结果的详细分析表明,由于明度容差与色调角无明显相关性,6个色差公式的预测性能均较好,其中CIEDE2000略优于其它色差公式.对于彩度容差,LCD(Leeds color-difference formula)预测性能表现最优,而CIEDE2000和BFD的表现最差,其余色差公式则相差不多.CIEDE2000和LCD的色调权重函数的预测性能明显优于其它色差公式,而CMC预测性能则为最差.     

Rotational Diffusion and Solvatochromic Correlation of Coumarin 6 Laser Dye

Rotational diffusion of coumarin 6 (C6) laser dye has been examined in n-decane and methanol as a function of temperature. The rotational reorientation of this probe has been measured in these solvents. It is observed that the decrease in viscosity of the solution is responsible for the decrease in the rotational relaxation time of the probe molecule. The molecule C6 has long reorientation times in n-decane solvent as compared to methanol over all temperatures. It is found that the coumarin 6 rotates slower in n-decane than in methanol especially at higher values of viscosity over temperature. Two methods are chosen to determine the ground state and excited state dipole moments. The change in dipole moments is estimated from Bakhshiev-Chamma-Viallet equations and, the ground and excited state dipole moments from Kawski et al. equations, by using the variations of the Stokes shifts with the dielectric constant and refractive index of the solvent. Our results are quite reliable which are solvatochromic correlation obtained using solvent polarity functions. The reported results show that excited state dipole moment is greater than ground state dipole moment, which indicates that the excited state is more polar than the ground state.     

Estimation of the Polarity of Stationary Phases for Gas Chromatography Based on Spectral Parameters

Journal of Applied Spectroscopy - The applicability of stationary liquid phases for gas–liquid chromatography was evaluated. The scale for quantitative one-parameter estimation of their...     

Influence of Solvent Polarity and Viscosity on Nonradiative Processes in Oligothiophenes with Intramolecular Charge Transfer

By the methods of luminescence, picosecond spectroscopy, and quantumchemical calculations the mechanisms of electron excitation energy deactivation in some oligothiophenes with intramolecular charge transfer depending on the solvent polarity and viscosity have been investigated. While for 2Npiperidino5(2,2dicyanovinyl)thiophene (PDCVT) the main channel of nonradiative deactivation is the transition to a lower intermediate state with a twisted double bond controlled by the medium viscosity, in the case of (E){2[25piperidino2thienyl]6(trifluoridemethyl)4H4pyranylidene}propanedinitryl (PTFDN) fluorescence quenching is initiated by the solvent polarity. For two other oligothiophenes, 2Npiperidino5cyanothiophene (PCT) and 2Npiperidino5cyanoterthiophene (PCTT), differing in the length of the thiophene chain, we have revealed, along with the effective quenching of fluorescence in shortchain PCT (independent of the solvent polarity and viscosity), an increase in the radiation capacity in PCTT with increasing polarity of the solvent. The possible mechanisms of nonradiative deactivation in the investigated oligothiophenes are discussed.     

溶剂对香豆素343染料光谱性质和最低激发态偶极矩的影响

通过对香豆素343(C343)在不同溶剂中的稳态吸收光谱、稳态荧光光谱和时间分辨荧光光谱的分析,研究了溶剂对C343的光谱性质的影响,并获得了光谱特性与溶剂极性之间的依赖关系. 吸收光谱峰值的红移随着溶剂极性的增加而发生较小的变化. 然而,荧光光谱的峰值对溶剂的极性却很敏感,并随着溶剂极性参数f(ε,n)的增加呈线性增长. 这是由于C343激发态电荷分布的变化导致了它在极性溶剂中第一激发单重态能级的变化. 用溶剂效应测量法和量子化学计算方法确定了C343最低激发态的偶极矩,这两方法所得的结果一致. C343在不同溶剂中的时间分辨荧光光谱研究表明荧光寿命随着溶剂极性的增加而增加,即从甲苯溶液的3.09 ns线性地增加到水溶液中4.45 ns;荧光寿命延长的根源可归因于C343与氢键给体溶剂之间的分子间氢键相互作用.     

Solvent Polarity and Excitation Wavelength Dependence of the Dual Fluorescence in N,N-Diethyl-4-Nitrosoaniline

Dual fluorescence in N,N-Diethyl-4-nitrosoaniline (DENA) has been studied employing absorption, excitation and emission spectroscopic techniques and computational methods. The absorption and fluorescence spectra of DENA were measured in solvents of various polarities at room temperature. The emission spectra of DENA were found to exhibit a single emission band in non polar solvent (cyclohexane) and in a highly polar solvent (acetonitrile). In the contrary, two emission bands were observed in medium polar solvents (tetrahydrofuran, 1,2-dichloroethane and dichloromethane) whereby the short (local excited; LE) and long (charge transfer; CT) emission maxima correspond to the emission maxima of the compound observed in cyclohexane and acetonitrile solutions, respectively. Moreover, the two emission bands have shown strong excitation wavelength dependence, and area normalization resulted in an iso-emissive point. The two emission maxima were in addition found to correspond to two excitation maxima in 3D fluorescence spectra. Further, two minima were obtained in potential energy surface calculation of DENA. From the experimental and computational results it was concluded that the dual fluorescence may be attributed to the presence of two different ground state structural conformers of DENA in equilibrium that are stabilized through solute-solvent interaction.     

Coumarin-Pyrazole Hybrid with Red Shifted ESIPT Emission and AIE Characteristics - a Comprehensive Study

The newly synthesized three coumarin pyrazole hybrid excited state intramolecular proton transfer (ESIPT) dyes show efficient charge transfer from the pyrazole ring and the coumarin towards the electron withdrawing dicyanovinylene group as revealed from the frontier molecular orbitals. Aggregation induced emission enhancement (AIEE) studies with 2-((3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) malononitrile showed 9 fold increase in the emission enhancement in 90% DMF-H₂O mixture. Lippert-Mataga theory explained the solvatochromic behavior of the dyes in various solvents. The charge transfer characteristics and non-linear optical (NLO) properties have been supported and correlated with bond length alternation, bond order alternation and vibrational spectrum. As values of bond order alternation (BOA) tend to be more towards negative and as the value of α increases β decreases while the values of γ depends on the values of α and β. The observed values of γ are positive which revealed that β contributes significantly. The dyes exhibit linear and NLO properties superior to urea. (E)-2-(3-(2-(3-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene) malononitrile shows enhanced linear and non-linear properties among the three dyes.     

Quantum Multi-Image Encryption Based on Iteration Arnold Transform with Parameters and Image Correlation Decomposition

A novel quantum multi-image encryption algorithm based on iteration Arnold transform with parameters and image correlation decomposition is proposed, and a quantum realization of the iteration Arnold transform with parameters is designed. The corresponding low frequency images are obtained by performing 2-D discrete wavelet transform on each image respectively, and then the corresponding low frequency images are spliced randomly to one image. The new image is scrambled by the iteration Arnold transform with parameters, and the gray-level information of the scrambled image is encoded by quantum image correlation decomposition. For the encryption algorithm, the keys are iterative times, added parameters, classical binary and orthonormal basis states. The key space, the security and the computational complexity are analyzed, and all of the analyses show that the proposed encryption algorithm could encrypt multiple images simultaneously with lower computational complexity compared with its classical counterparts.     

单模光纤端面衍射光束参量与其结构参数关系研究

本文采用指数函数拟合光纤基模端面衍射场光束参量与光纤基本参数的关系，分别得到了各个光束参量与光纤归一化频率V和光纤芯层半径a关系的解析表达式。把曲线拟合得到的基于V和a表达的解析函数的计算结果，与基于光纤芯层参量U、包层衰减参量W和光纤芯层半径a表达的解析函数的计算结果相比，当1.5 相似文献   

基于灰度相关的红外隐身效果评价方法研究

提出了一种基于图像灰度相关算法的红外隐身效果评价方法.通过对采用红外隐身措施前后目标图像的相关处理,提取相关峰的峰显著系数、峰.相关能量比和峰-背景比这三个特征参量来定义红外隐身概率作为衡量红外隐身效果的客观评价指标.采用人眼对红外热图进行判识的统计结果来确定红外隐身概率中各参量的统计权重,从而使计算机图像处理方法所得结果与实际人眼的主观判识结果一致.实验结果表明:此方法适用于对地面典型军事目标的红外隐身效果进行客观评价.     

Solvent Relaxation of Prodan and Patman: A Useful Tool for the Determination of Polarity and Rigidity Changes in Membranes

The time dependence of the solvent relaxation behavior of two polarity-sensitive dyes called Prodan and Patman has been investigated in detail in artificial membrane systems of different compositions. The works provides a comparison of the solvent relaxation behavior of the mentioned dyes, using steady-state and time-resolved fluorescence methods, and exemplifies their complementary use for membrane studies.     

Spectroscopic Study of Solvent Polarity on the Optical and Photo-Physical Properties of Novel 9,10-bis(coumarinyl)anthracene

Novel 7,7′-((anthracene-9,10-diylbis(methylene))bis(oxy))bis(4-methyl-2H-chromen-2-one) (BisCA) was prepared as fluorescent probe. The chemical structure of the novel BisCA was confirmed by spectroscopic data as well as elemental analyses. The solvatochromic characteristics of the new proble and its precursors were investigated in different solvents including, ethanol, DMF and toluene as protic polar, aprotic polar and non-polar solvents, respectively. Photo-physical parameters of probes, such as fluorescence quantum yields, fluorescence lifetime of excited state, radiative and non-radiative decay, were assessed in different media. The intermolecular H-bond effect on absorption and excitation spectra of the novel probe was reported in different solvents. Also, Onsager cavity radius and dipole moment of ground state and excited state of the probe were calculated as described by Bakhshiev and Reichardt methods.