Atlas of the O-18 Methanol THZ Fourier Spectrum

In this paper, an atlas of the assigned high-resolution Fourier transform spectra in the range 30-133 cm^-l, corresponding far-infrared torsion-rotation band of O-18 methanol in the vibrational ground state, is presented. The estimated accuracy of the lines is ±0004 cm^-l. This will be of great assistance with our assignments of optically-pumped FIR laser emission in CH₃ ¹⁸0H, in providing FIR data for checking the identification of the IR-pump/FIR-laser transition systems through combination loop relations.     

Determination of Deuteron Dipole Moment in Nuclear Quark-Like Model

Using the quark-like model, we have improved the existing deviation between theoretical and experimental values of magnetic dipole moment of deuteron. Based upon Pauli Exclusion Principle, the constituent quarks form a ground state for l = 0. The expectation value of the deuteron magnetic dipole moment operator is determined to be equal to 0.861 597 8μ N in better agreement with the measured value of 0.857 437 6μ N as compared to the shell model calculations.     

Simultaneous Determination of Force Constants and Dipole Moment Derivatives of Methane

The expressions of the effective Hamiltonian and dipole moment spectroscopic parameters in the tetrahedral formalism are used simultaneously to fit the force field and dipole moment derivatives of the methane molecule. Data, the so-called “observed parameters,” are the values of the spectroscopic parameters determined from the frequencies and line strengths analyses. The ambiguities of most parameters (in the polyad scheme) are treated consistently with the Hamiltonian reduction chosen in the frequency analyses. As an illustration, the method is applied to the tetrahedralXY₄isotopic species only. The quadratic and cubic force field constants have been determined in addition to the linear and six of the seven quadratic dipole moment derivatives. The observed parameters are reproduced with a standard deviation of 4%. The results are compared with previous works and it is moreover shown that the introduction of the dipole moment data removes some correlations between the force constants.     

中红外光谱对甲醇汽油甲醇含量检测研究

甲醇汽油是一种清洁能源,甲醇汽油中甲醇的含量决定了汽油的性能。通过中红外光谱对甲醇汽油中甲醇含量进行定量检测和分析。首先,对采集的甲醇汽油原始中红外光谱进行平滑处理（smoothing）、多元散射校正（MSC）、基线校正（baseline）、归一化（normalization）等预处理,再建立PLS模型,对比选择最佳预处理方法,结果表明：在多元散射校正（MSC）处理后建立的PLS模型效果最好,模型的预测集相关系数r为0.918,预测均方根误差RMSEP为2.107。为进一步简化模型,提高预测精度,采用无信息变量消除(uninformative variable elimination, UVE)方法对波长进行筛选,将UVE波段筛选之后的作为模型的输入变量,采用偏最小二乘法（partial least squares, PLS）、主成分回归(principal components regression, PCR)和最小二乘支持向量机（least square support vector machine, LSSVM）三种方法分别建立甲醇汽油中甲醇含量的定量预测模型,并比较不同模型的预测效果和结果。结果表明,使用无信息变量消除可以较好提高数据的运算速度,其中,UVE-PLS模型建模效果最好,r和RMSEP分别为0.923和2.075。该实验表明中红外光谱检测甲醇汽油中甲醇含量是可行的并可以得到较好的效果;UVE是一种对甲醇汽油的中红外光谱非常有效的波段筛选方法,该模型的建立对石油化工领域具有较为重要的意义。     

近红外光谱法对甲醇柴油中甲醇含量测定

应用近红外光谱结合化学计量学方法实现了对甲醇柴油中的甲醇含量的定量分析。以实验室配制的32种不同浓度[浓度范围为2%～25.8%(φ)]的甲醇柴油溶液为研究对象,在4 500～7 000 cm-1光谱范围内,建立偏最小二乘(PLS)、支持向量机(SVM)和最小二乘支持向量机(LS-SVM)三种定量分析模型。在建立SVM模型时,经过比较分析,径向基函数(radial basis function,RBF)作为SVM模型的核函数时可以获得更高的预测精度。最终获得甲醇含量的PLS, SVM和LS-SVM三种模型的预测相关系数R_P分别为0.985 9, 0.990 3, 0.998 9,预测均方根误差RMSEP分别为0.405 2, 0.356 3, 0.062 4,可以看出,三种预测模型都可以达到很好的效果,最优的预测模型是使用LS-SVM建模。研究结果表明,利用近红外光谱法结合化学计量学方法对甲醇柴油中甲醇含量的检测具有可行性,并可以达到很好的效果。采用近红外光谱技术结合化学计量方法对甲醇柴油中甲醇含量进行定量分析,也为近红外光谱技术快速无损检测甲醇柴油甲醇含量提供参考和应用价值。     

Dipole Moment Function of Hydrogen Halides

A new semi-empirical method for constructing the dipole moments of diatomic molecules as functions of the internuclear distance R $\varepsilon$ [0, ∞) is suggested. The dipole moment is described by a piecewise continuous function specified by a power-law polynomial with the asymptotic μ(R) → R ³ for small R, the dipole moment and its derivatives for equilibrium positions of nuclei in the molecule, and the results of ab initio calculations of the dipole moment for large R. The method is hydrogen halide molecules.     

MP-AES法测定水产饲料中多种金属元素

应用微波等离子体发射光谱(microwave plasma-atomic emission spectrometry, MP-AES)技术, 建立水产饲料中铜、铁、锰、锌、钾、钠等元素MP-AES分析方法。样品采用干灰化法消解, 开展了方法学研究试验, 同时与AAS和ICP-AES方法进行比对, 并完成FAPAS能力验证样品和标准物质确证试验。通过优化MP-AES仪器的各项参数, 在所选定的条件下, 各元素的线性相关系数在0.999以上, 检出限在0.4～3.9 mg·kg-1之间, 加标回收率在103%～112%之间, 精密度试验相对标准偏差在0.2%～0.6%之间;测定结果与AAS法、ICP-AES法比对, 单因素方差分析(α=0.05)各元素P值在0.065～0.438之间, 均大于0.05, 无显著性差异;FAPAS奶牛饲料能力验证和灌木枝叶(GBW07602)标准物质确证试验的各元素测定值均在参考值范围内。结果表明, 所建立的方法简单、快速, 线性范围宽, 具有良好的准确性和精密度;MP-AES无需使用乙炔、氩气, 安全、经济、环保, 能降低检测成本、提高检测效率, 可替代AAS、ICP-AES法测定水产饲料中的六种金属元素, 为水产饲料的质量控制提供理想的元素分析方法。     

MP-AES法测定水产饲料中多种金属元素

应用微波等离子体发射光谱(microwave plasma-atomic emission spectrometry,MP-AES)技术,建立水产饲料中铜、铁、锰、锌、钾、钠等元素MP-AES分析方法。样品采用干灰化法消解,开展了方法学研究试验,同时与AAS和ICP-AES方法进行比对,并完成FAPAS能力验证样品和标准物质确证试验。通过优化MP-AES仪器的各项参数,在所选定的条件下,各元素的线性相关系数在0.999以上,检出限在0.4～3.9 mg·kg-1之间,加标回收率在103%～112%之间,精密度试验相对标准偏差在0.2%～0.6%之间;测定结果与AAS法、ICP-AES法比对,单因素方差分析(α=0.05)各元素P值在0.065～0.438之间,均大于0.05,无显著性差异;FAPAS奶牛饲料能力验证和灌木枝叶(GBW07602)标准物质确证试验的各元素测定值均在参考值范围内。结果表明,所建立的方法简单、快速,线性范围宽,具有良好的准确性和精密度;MP-AES无需使用乙炔、氩气,安全、经济、环保,能降低检测成本、提高检测效率,可替代AAS、ICP-AES法测定水产饲料中的六种金属元素,为水产饲料的质量控制提供理想的元素分析方法。     

Electric Dipole Moment Function of the OH Molecule

The electric dipole moment function of the OH radical in the ground electronic state is constructed for internuclear distances R [0, ]. The electric dipole moment function is represented as a piecewise continuous function satisfying physically exact asymptotes and experimental values of the electric dipole moment and its derivatives for equilibrium positions of nuclei of the radical. The Padé form for the electric dipole moment function of the OH radical is also approximated. Electric dipole moment functions obtained are compared with the results of ab initio calculations.     

氢原子的固有电偶极矩

用经典力学和双波量子力学计算了氢原子的固有电偶极矩。双波量子理论算得的结果在经典极限下与经典力学的结果一致。普通量子力学对氢原子Stark效应中表现出来的电偶极矩难以做出很好的解释，因为一个波函数描述的是系综而不是单个粒子。经典力学和双波量子力学可描述单个粒子的行为，对永久电偶极矩的计算和解释显得自然而合理。     

Transition Dipole Moment Measurements of Ultracold Photoassociated ~(85)Rb~(133)Cs Molecules by Depletion Spectroscopy

The transition dipole moments(TDMs) of ultracold85 Rb133 Cs molecules between the lowest vibrational ground level, (X~1Σ~+( v= 0, J= 1), and the two excited rovibrational levels, 2~3Π_0+(v′= 10, J′= 2) and 2~1Π_1(v′= 22,J′= 2), are measured using depletion spectroscopy. The ground-state85 Rb133 Cs molecules are formed from cold mixed component atoms via the 2~3Π_0-( v= 11, J= 0) short-range level, then detected by time-of-flight mass spectrum. A home-made external-cavity diode laser is used as the depletion laser to couple the ground level and the two excited levels. Based on the depletion spectroscopy, the corresponding TDMs are then derived to be 3.5(2)×10~(-3)eα_α and 1.6(1)×10~(-2)eα_α, respectively, where 0)(60 represents the atomic unit of electric dipole moment. The enhance of TDM with nearly a factor of 5 for the 21Π1(v′= 22, J′= 2) excited level means that it has stronger coupling with the ground level. It is meaningful to find more levels with much more strong coupling strength by the represented depletion spectroscopy to realize direct stimulated Raman adiabatic passage transfer from scattering atomic states to deeply molecular states.     

On Dipole Moment of Impurity Carbon Nanotubes

Russian Physics Journal - Propagation of a two-dimensional electromagnetic pulse in an array of semiconductor carbon nanotubes with impurities is investigated. The parameters of dipole moments of...     

W-Boson Electric Dipole Moment Generated at the Two-Loop Level

We calculate the W-boson electric dipole moment in the Weinberg-Higgs model in which the Cp violation is mediated by charged Higgs boson exchange and compare our results with other works.     

Far-Infrared Laser Stark Spectroscopy of 1,1 Difluoroethylene

The far-infrared laser Stark spectrum of 1,1 difluoroethylene (H₂C=CF₂) has been investigated with the 311 m line of the hydrogen cyanide (HCN) laser. Numerous families of absorption lines have been observed for both parallel and perpendicular polarizations up to 60 000 V/cm. Three families of resonances have been identified as J(K_a,K_c) = 41(35,7) 40(33,8), 40(36,5) 39(34,6) and 43(35,8) 42(33,9). The Stark shift for the first two transitions can be adequately explained by quasi-first-order calculations, whereas the Stark shift for the third transition requires second-order corrections. The zero-field frequencies for these transitions have been experimentally determined and are reported with fractional uncertainties up to a few parts in 10⁶.     

微波波谱法研究分子间相互作用

微波波谱是一种微波频段的波谱学方法,近年来在研究分子系统结构及分子间弱相互作用上发展迅速,是一种高分辨率和高灵敏度的分析工具. 本文介绍了它的原理及应用,尤其是对脉冲喷射傅里叶变换微波谱仪研究范德华力配合物、氢键配合物、弱氢键配合物、卤键配合物等弱相互作用体系的微波转动谱也作了简要的综述.      

Determination of the molecular dipole moment of bromofluoromethane: Microwave Stark spectra and ab initio calculations

The electric dipole moment of bromofluoromethane, CH₂⁷⁹BrF, has been determined with a good accuracy by observing the second order ΔM_J = 0 Stark spectrum of the J = 3_2,1 ← 3_1,2, J = 5_2,3 ← 5_1,4 and J = 5_2,4 ← 5_1,5 rotational transitions. In addition, the equilibrium geometry and dipole moment have been evaluated using highly accurate ab initio calculations. By comparing the experimental [μ_a = 0.3466(11) D and μ_b = 1.704(26) D] and theoretical [μ_a = −0.339 D and μ_b = −1.701 D] dipole moment components, a very good agreement has been found.     

Using Raman Spectroscopy for Determination Methanol Quantity in Illegal Alcoholic Beverages

Illegal production of alcoholic beverages is a common problem in most countries.The consumption of these counterfeit alcoholic products in Turkey has increasingly been one of the major health concerns.In this study,a comparison between GC-MS and Raman spectroscopy techniques was made to determine the amount of methanol in BogmaRaki which is a counterfeit alcoholic beverage produced and consumed in Hatay region. Different ratios of methanol/ethanol concentrations were prepared to obtain a calibration curve.This curve was used to measure the amount of methanol in the actual product samples using both GC-MS and Raman spectros-copy techniques.Results obtained from both techniques were compared using Paired sample t-tests.The Limit of Detection and the Limit of Quantification values were determined as 0.03 (%v/v)and 0.11 (%v/v),re-spectively.Both techniques demonstrated a similar sensitivity in the determination of methanol concentration in these counterfeit products (p>0.05).Raman Spectroscopy,however,has an advantage of being easy to use, inexpensive,rapid and non-destructive analytical technique with little or no sample preparation.     

微波消解-火焰原子吸收光谱法测定莫氏兰根中的微量元素

用浓硝酸微波消解处理样品,火焰原子吸收光谱法测定莫氏兰根中K、Ca、Mg、Cu、Zn、Mn、Pb和Cd 8种微量元素的含量.测定结果表明,所测的各微量元素的校准曲线的相关系数为0.9990-0.9998,回收率为97.56％-103.85％,方法检出限为0.0012-0.0143mg/L,相对标准偏差小于3.0％.该方法操作简便、快速,结果准确,是莫氏兰根中的微量元素含量测定的理想方法.     

Electric Dipole Moment of W-boson Through Neutral Higga-Boson Exchange

We compute the electric dipole moment generated at two-loop for the W-boson in the Weinberg-Higgs model in which the CP violation is mediated by neutral Higgs-boson exchange. We also compare our results with the others relative to the problem in the literature     

Dipole Moment Operator and Spectral Parameters of Torsion Transitions

Russian Physics Journal - Analytical expressions for matrix elements of the dipole moment operator for internal rotation are obtained. Quantitative measures for spectroscopic parameters of...