1.315μm附近CO2的高分辨率吸收光谱

 利用可调谐激光长程吸收光谱测量系统，记录到1.315μm附近高气压（80kPa和40kPa）CO₂的高分辨率吸收光谱，拟合分析获得谱线参数，结果与HITRAN 2k的数据基本一致。用程差法测量了绝对吸收，氧碘激光频率(7 603.138 5cm^-1)的总吸收截面为(0.23~0.29)×^-24cm²。仅计算谱线吸收的吸收截面为0.18×10^-24cm²。在1.315μm波段COCO₂存在连续吸收，吸收截面为(0.05~0.11)×10^-24cm²。还讨论了测量误差问题。     

等离子体X射线吸收谱及发射谱研究

 报道计算高温高密等离子体吸收谱和发射谱（光学薄）的理论方法；该方法基于相对论原子理论，可以计算任何单元素以及多元素等离子体的谱分辨X射线吸收谱和发射谱（光学薄）；应用了量子亏损理论，可以减少计算量。利用该方法计算金等离子体LTE吸收谱，计算结果与实验符合良好。本文还对金等离子体LTE的光学薄发射谱进行了研究, 这将有利于对实验进行进一步的诊断分析。该理论计算方法还可提供等离子体内各电离度能级布居等重要物理参数。因此经“标准实验”检验的该理论计算方法将是提供ICF“精密”物理辐射参数的重要基础。     

等离子体X射线吸收谱及发射谱研究

报道计算高温高密等离子体吸收谱和发射谱（光学薄）的理论方法;该方法基于相对论原子理论,可以计算任何单元素以及多元素等离子体的谱分辨X射线吸收谱和发射谱（光学薄）;应用了量子亏损理论,可以减少计算量。利用该方法计算金等离子体LTE吸收谱,计算结果与实验符合良好。本文还对金等离子体LTE的光学薄发射谱进行了研究, 这将有利于对实验进行进一步的诊断分析。该理论计算方法还可提供等离子体内各电离度能级布居等重要物理参数。因此经“标准实验”检验的该理论计算方法将是提供ICF“精密”物理辐射参数的重要基础。     

采用短程飞行时间吸收谱测量冷原子温度时参数误差的影响

详细介绍了短程飞行时间吸收谱测量冷原子温度的基本模型和实验方法.在对铯原子磁光阱中冷原子温度测量的基础上,分析了初始时刻冷原子云中心到探测光束中心的垂直距离、冷原子云初始半径、探测光束半径三个参数的误差分别对于通过短程飞行时间吸收谱测量冷原子温度时所带来的影响,并比较了这些参数各自的影响程度. 关键词： 冷原子温度 飞行时间 短程飞行时间吸收谱     

Temperature-dependent mid-IR absorption spectra of gaseous hydrocarbons

Quantitative mid-IR absorption spectra (2500-3400 cm⁻¹) for 12 pure hydrocarbon compounds are measured at temperatures ranging from 25 to 500 °C using an FTIR spectrometer. The hydrocarbons studied are n-pentane, n-heptane, n-dodecane, 2,2,4-trimethyl-pentane (iso-octane), 2-methyl-butane, 2-methyl-pentane, 2,4,4-trimethyl-1-pentene, 2-methyl-2-butene, propene, toluene, m-xylene, and ethylbenzene. Room-temperature measurements of neat hydrocarbon vapor were made with an instrument resolution of both 0.1 and 1 cm⁻¹ (FWHM) to confirm that the high-resolution setting was required only to resolve the propene absorption spectrum while the spectra of the other hydrocarbons could be resolved with 1 cm⁻¹ resolution. High-resolution (0.1 cm⁻¹), room-temperature measurements of neat hydrocarbons were made at low pressure (∼1 Torr, 133 Pa) and compared to measurements of hydrocarbon/N₂ mixtures at atmospheric pressure to verify that no pressure broadening could be observed over this pressure range. The temperature was varied between 25 and 500 °C for atmospheric-pressure measurements of hydrocarbon/N₂ mixtures (X_hydrocarbon∼0.06-1.5%) and it was found that the absorption cross section shows simple temperature-dependent behavior for a fixed wavelength over this temperature range. Comparisons with previous FTIR data over a limited temperature range and with high-resolution laser absorption data over a wide temperature range show good agreement.     

纯铌酸锂晶体红外光谱的低温研究

测量了同成分纯铌酸锂的低温红外光谱,发现低温下铌酸锂晶体将会出现位于3200 cm^-1左右的新红外吸收峰.研究发现该峰与晶体中的氢离子无关,并且其峰强和峰形都随温度的升高发生复杂的变化.基于上述实验结果,认为该峰应该起源于电子在相邻的小极化子（Nb⁴⁺_Li）和自由极化子（Nb⁴⁺_Nb）之间的跃迁.另外,通过拟合发现新红外吸收峰可分解成三个高斯峰,这三峰应归因于能量有细微差别的三种跃迁. 关键词： 铌酸锂 红外吸收光谱 杂质缺陷     

ZnSe—ZnS应变层超晶格的激子吸收谱

在16K至室温范围内测量了ZnSe-ZnS应变层超晶格的激子吸收谱.观测到对应于1E-1HH1E-1LH及1E-3HH跃迁的三个激子吸收峰.     

Optical absorption of the F center as function of the temperature

Abstract

The temperature shift of the F absorption band for KBr and KCl single crystals was experimentally and theoretically determined. The theoretical calculations are based on the pseudopotential method using different wave functions and assumed a linear thermal expansion coefficient for the crystalline lattice. The change of F-center absorption energy due to collisions with the thermally vibrating lattice is calculated. This contribution is small. The measurements agree fairly well with the results obtained using the present model.     

低对称畸变晶场下YIG和YGG:Fe~(3+)吸收光谱的理论解释

本文利用络合物中Fe~(3+)的SCF-d轨道理论,分别在实际的低对称场D_(3d)和S_4下对YIG和YGG:Fe~(3+)中的d-d跃迁谱进行了理论计算。仅用两个参数和μ就解释了YIG中10800cm~(-1),21150cm~(-1),25700cm~(-1),27600cm~(-1)处的谱分裂,并且指出YGG:Fe~(3+)中的26320cm~(-1),26970cm~(-1)为Fe~(3+)对的双中心跃迁谱。基本澄清了YIG和YGG:Fe~(3+)吸收谱理论的某些混淆。     

Infrared absorption spectra of 2,3- and 3,5-dichloroaniline

The infrared absorption spectra of 2,3- and 3,5-dichloroanilines have been recorded in the region 250–4000 cm⁻¹. The spectra of the latter are recorded in solid phase (KBr and Nujol mull) and in CS₂/CCl₄ and CHCl₃ solutions while that of the former in thin film only. The spectra have been analysed assuming C ₃ and C_2v point group symmetry respectively and a tentative assignment of the observed bands to different fundamental modes has been made.     

Optical transitions of Eu3+ ions in EuCl3 solutions

The optical absorption spectra of EuCl₃ in aqueous and acidic solutions were measured in the visible anduv regions of the spectrum. The concentration as well as the temperature of the solutions were varied to establish an accurate free-ion energy level scheme of Eu³⁺. The energy levels were assigned on the basis of a correlation between the calculated and the experimentally observed transition energies and associated band intensities.     

Spectroscopic studies of Nd and Er in KGd(WO4)2 single crystals

Single crystals of KGd(WO₄)₂ doped with Nd³⁺ and Er³⁺ ions were grown by the top seeded solution growth method. Detailed analysis of the room-temperature absorption spectra was performed using the conventional Judd-Ofelt theory and actual dependence of the refractive index on the wavelength. In addition to the intensity parameters Ω_2,Ω_4,Ω₆, the branching ratios and radiative lifetimes were estimated for all possible transitions in the studied spectral region. Those transitions which can be potentially used for laser applications have been identified for both ions.     

利用光学多通道分析仪与分光光度计测定叶绿素的紫外-可见光区吸收光谱

应用分析化学中常用的吸光光度法,通过光学多通道分析仪和紫外-可见分光光度计对叶绿素提取液和叶绿素晶体分别进行了紫外-可见光区吸收光谱的探测,并对其吸收曲线进行了分析和研究.根据实验结果对文献中的一些数据进行了讨论.     

Steady-state analysis of three-photon absorption spectra via density-matrix method in a three-coupled-quantum-well nanostructure

We numerically simulate three-photon absorption spectra in a three-coupled-quantum-well nanostructure interacting with a pump field,a coherent coupling field,and a probe field.We find that the three-photon absorption spectra can be dramatically influenced due to the intensities of the coupling field and pump field changing under the three-photon resonance condition.The effect of the frequency detuning of the pump field on the three-photon absorption spectra is also discussed.The study in our case is much more practical than the study in the case of its atomic counterpart in the sense of flexible design and the wide adjustable parameters.Thus it may open up some new possibilities for technological applications in optoelectronics and solid-state quantum information science.     

飞秒激光作用下异质结的线性吸收谱研究

以二奈嵌苯分子吸附在TiO₂表面所组成的异质结构为例,介绍了在飞秒激光作用下由染料分子和半导体组成的异质结构中从分子基态到半导体导带的超快电子传输过程,在理论上分析了分子内部传输和直接电子传输过程对线性吸收谱的贡献.与分子内部传输过程项相比较分析了电子的超快直接传输在不同的分子及半导体结构下对线性吸收谱的影响. 关键词： 飞秒激光 线性吸收谱 超快电子转移     

IR absorption and surface-enhanced Raman spectra of the isoquinoline alkaloid berberine

We present the IR absorption and surface-enhanced Raman scattering (SERS) spectra of the isoquinoline alkaloid berberine adsorbed on a silver hydrosol and on the surface of a silver electrode for different potentials. Based on quantum chemical calculations, for the first time we have assigned the vibrations in the berberine molecule according to vibrational mode. The effect of the potential of the silver electrode on the geometry of sorption of the molecule on the surface is considered, assuming a short-range mechanism for enhancement of Raman scattering. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 1, pp. 31–36, January–February, 2007.     

Ab initio calculations for the absorption spectra and polarizabilities of small sulfur clusters

Absorption spectra for Sn clusters （n=2...8） are calculated using an adiabatic time-dependent density functional formalism within the local density approximation （LDA）. We compare the calculated spectra with those computed using a simple LDA approach. The time-dependent LDA （TDLDA） spectra display a significant blue shift with respect to the LDA spectra. The calculated spectra present a variety of features that can be used for comparison with future experimental investigations. We also obtain a significant threshold absorption, which can distinguish between different ground states of the sulfur clusters. In addition, the polarizabilities of the clusters are calculated by using the higherorder finite-difference pseudopotential density functional method in real space. We find that the polarizabilities of the clusters considered are higher than the value estimated from the ＇hard sphere＇ model using the bulk static dielectric constant. The computed polarizabilities per atom tend to decrease with increasing cluster size. The polarizabilities are closely related to the HOMO-LUMO gaps and the geometrical configurations.     

Determination of thiophanate-methyl using UV absorption spectra based on multiple linear regression

As one worldwide used agent for fungi control in the fruit and vegetable field, thiophanate-methyl has been constituted a significant health risk. To determinate thiophanate-methyl, the method using UV absorption spectra based on multiple liner regression is used. Principal absorption wavelengths related closely with thiophanate-methyl ethanol solution are confirmed through analyzing the absorption spectra of thiophanate-methyl. Utilizing multiple linear regression, mathematical model between absorbance obtained from fourteen absorption wavelengths and thiophanate-methyl concentration is established. The result shows concentrations between the predicted values and measured values are well coincident and the related coefficient is 0.9853 over the concentration range 2–35 ppm.     

Electronic absorption spectra determination of C60 content in soot produced in hydrocarbon flames

We analyze the possibilities of eliminating hydrocarbon compounds from soot produced in hydrocarbon flames for the purpose of using the method of electronic absorption spectra to measure the content of fullerenes. The sensitivity limit of the spectral-absorption method has been determined. The solubility of C₆₀ in ether has been measured. Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 67, No. 4, pp. 253–256, March–April, 2000.