VN分子R线系跃迁结构的研究与分析

本文借助孙卫国课题组建立的能精确计算双原子分子R线系发射谱线的物理公式,利用实验上获得的低振动态跃迁谱线数据研究了电极材料VN分子电子态f¹Φ–a¹Δ以及电子态d¹∑⁺–X³Δ₁等跃迁体系的（0,0）跃迁带的R线系发射谱线. 从理论上预言了实验上难以获得的该跃迁带R线系高振转激发态的跃迁结构,为急需VN分子内部结构的其他研究领域提供了重要的结构信息. 从这些公式出发,我们定义了表征实验测定谱线对新谱线的贡献度C（contribution）参数,进一步分析了高激发振转跃迁谱线的相互依赖关系,结果表明该物理公式不仅很好地复现了已知的实验数据,正确地预言了实验未能测定的高激发振转跃迁谱线,而且还能了解不同实验谱线对新谱线的贡献程度,基于这些贡献度,实验学家可以将有限的资源更好地进行分配,重点研究那些贡献度大的振转跃迁谱线. 关键词： 双原子分子 跃迁谱线 贡献度 VN     

CO电子基态P线系跃迁谱线的理论研究

基于微分的思想,结合经典的双原子分子跃迁谱线表达式,提出了预言双原子分子P线系高激发振-转跃迁谱线的新解析物理公式.对于某分子电子体系的某一P支跃迁带,利用实验上获得的一组(15条)精确的跃迁谱线和该跃迁带对应的上下振动态的转动常数(B_υ',B_υ″)的精确数据,该公式不仅可以精确地重复已知的实验跃迁谱线,而且还能预测出实验上难以获得的更高激发态的跃迁谱线数据.利用该公式,研究了CO分子电子基态的(2,0)振-转跃迁带的< 关键词： 双原子分子 发射光谱 P线系')" href="#">P线系 CO     

碘分子在He-Ne激光器输出谱线范围内的振转带

本文计算了在He-Ne激光器可见光九条谱线范围内所有可能出现的~(127)I_2,~(129)I_2和~(127)I~(129)I分子振转带,为进一步研究它们的超精细分裂和利用它们对He一Ne激光器进行稳频提供了参考。     

差分收敛法对双原子分子高J值转动谱线的预言

为了更精确地预言转动量子数J ≥ 100时双原子分子R支和Q支的振转跃迁谱线, 本文在考虑了转动能级展开式中高阶小项H_v的前提下重新推导出能更好地预言R支和Q支跃迁谱线的物理解析公式. 另一方面, 通过对差分收敛法计算过程的细致分析, 从物理误差的角度提出了一个在没有实验数据作为参照时仍然能有效收敛的重要物理判据. 应用这些新公式和新判据对TiF和CO分子R支振转跃迁谱线和TiF分子Q支振转跃迁谱线进行了研究. 结果表明: 包含高阶小项H_v的新公式的预言结果精度比原有不含H_v的公式的结果提高了一个数量级; 新判据的使用能更有效地减小预言谱线的可能误差, 提高预言结果精度. 最后通过与最小二乘法计算结果的对比, 进一步说明新公式和新判据在预言R支和Q支振转跃迁谱线数据方面的有效性和准确性.     

VO分子2△3/2—12△3/2电子跃迁P线系发射谱线的研究

本文利用孙卫国课题组建立的能精确计算(预言)某双原子分子电子态P线系发射谱线的物理新公式,首次研究了VO分子从电子态~2△3/2跃迁到电子态1~2△3/2的(0,0)跃迁带中的P线系发射谱线.获得的研究结果不仅重复了实验上己知的低转动态谱线数据,而且还正确预言了该跃迁带在实验上难以精确测量的转动量子数J=80.5以内的高振转激发态的P线系发射光谱.为研究VO分子内部结构提供了重要的物理信息.     

Cl2+离子R支跃迁光谱的理论研究

从双原子分子能级的物理表达式出发进行多次微分,建立了预测双原子分子体系R支高振转跃迁谱线的新解析公式. 使用新解析公式预测双原子体系R支高阶跃迁谱线的数据时,最多只需15条精确的实验跃迁谱线和该跃迁带中对应的上下 振动态的转动光谱常数B′_v 和 B″_v.将该解析公式用于预测Cl₂⁺ 离子 A²∏_u---X²∏_g跃迁系(3,7)带和(4,8)带的跃迁谱线,不仅精确的重复了实验给出的较低阶的跃迁光谱数据值, 而且正确预言了所研究体系中缺失的振转跃迁谱线,尤其是高阶的跃迁谱线数据.     

Nb XIII离子3d94s2, 3d94s4p, 3d94p2 组态能级结构与跃迁的理论研究

用准相对论Hartree-Fock方法对Nb XIII离子二电子激发组态3d⁹4s², 3d⁹4s4p, 3d⁹4p² 的能级结构做了全面系统的理论计算研究.在对已有研究结果分析的基础上, 运用最小二乘方法对径向积分参数进行了优化计算, 得到了与这些组态有关的电偶极允许跃迁的谱线波长和跃迁概率.计算结果与最新的实验值做了对比分析, 表明本文计算结果是准确的. 研究发现, 波长40.92 nm的谱线, 属于3d⁹4s(¹D)4p²F_7/2–3d⁹ (²D)4s^{2 2}D_5/2 的跃迁谱线, 而不属于3d⁹4s (¹D)4p⁴D_7/2–3d⁹(²D)4s^{2 2}D_5/2 的跃迁谱线, 即上谱项能级为²F_7/2, 而不是⁴D_7/2. 关键词： Nb XIII离子 二电子激发组态 谱线波长 跃迁概率     

用预言振转跃迁谱线的新公式研究AuO分子电子跃迁P支的高激发态发射谱线

本文在孙卫国等建立的预测双原子分子高转动激发态的 振转跃迁能谱的解析物理公式的基础上, 增加了该公式推导时被省略的高阶转动项H_v对能级的贡献, 获得了包含此高阶小项的预测双核体系高转动激发态的振转跃迁谱线的新表达式. 使用该新公式对AuO分子P支发射跃迁光谱的研究表明: 加入高阶转动常数H_v后的新公式所预言的振转跃迁 谱线的精度比不包含H_v 的公式给出的结果提高了约一个数量级. 因此, 更加有力地表明了使用多重差分法建立的这类物理公式在预言实 验未给出的物理数据方面的正确性和有效性. 关键词： AuO H_v')" href="#">转动常数H_v P支谱线')" href="#">P支谱线 多重差分法     

用可调谐二极管激光光谱仪观测3657—3708cm-1区域CO2高分辨振转光谱

用可调谐二极管激光光谱仪观测到3657—3708cm^-1区域内CO₂各种同位素分子的9个振转谱带。首次观测到¹²C¹⁶O¹⁷O的10011—00001谱带和¹²C¹⁶O¹⁸O的11111—01101谱带,对其余7个谱带则扩充了其观测振转线的数目。用最小二乘方拟合法计算了各谱带的光谱常数,发现CO₂分子常数表中¹²C¹⁶O¹⁷O的10011—00001谱带中心v的计算值比本实验观测值大0.287cm^-1,而¹²C¹⁶O¹⁸O的11111—01101谱带中心v₀的计算值则比本实验观测值小0.048cm^-1。 关键词：     

基于OH自由基A2Σ + →X2Πr 电子带系发射光谱的温度测量技术

本文基于OH自由基所固有的分子结构特征,通过分子光谱理论系统地分析和计算了OH自由基A²Σ ⁺ →X²Π_r 电子带系发射光谱的谱线跃迁频率、能级分布以及爱因斯坦自发发射跃迁概率等重要参数.同时结合实际的光谱实验,分析了谱线的自然展宽、碰撞展宽、多普勒展宽以及仪器展宽等各种展宽因素对谱线线型的影响,从理论上计算了任意转动温度、振动温度以及谱线展宽条件下OH自由基A²Σ ^{关键词： 发射光谱 转动温度 振动温度 自发发射爱因斯坦跃迁概率}     

Intensities and widths of H2O lines between 1800 and 2100 cm-1

A non-linear, least-squares program was used to obtain the line intensities and widths of 91 air-broadened lines in the ν₂ rotation-vibration band of water vapor in the region from 1800 to 2100 cm^-1. The values obtained for the line intensities are, on the average, about 7% stronger than the Air Force Cambridge Research Laboratories (AFCRL) Atmospheric Absorption Line Parameters Compilation. The experimental values for the half widths of the H₂O lines are, on the average, 4% higher than the calculated AFCRL values. The measurements have confirmed the narrow widths of some high J transition lines measured by tunable diode laser spectroscopy.     

Heterodyne frequency measurements (at 11.6 μm) on isotopic species of carbonyl sulfide,OC34S,O13CS,OC33S, 18OCS,and O13C34S

Heterodyne frequency measurements between a frequency-stabilized ¹³CO₂ reference laser and a tunable diode laser (either tuned or locked to various carbonyl sulfide absorption peaks) have been made on a number of 10⁰0-00⁰0 band transitions in the isotopic species of carbonyl sulfide: OC³⁴S, O¹³CS, OC³³S, ¹⁸OCS, and O¹³C³⁴S. These OCS frequency measurements have been combined with existing microwave data and new sets of molecular constants obtained. These constants will be used later to form part of a frequency calibration compendium based on OCS.     

Preliminary frequency measurement of the electric quadrupole transition in a single laser-cooled 40Ca+ ion

The trapping and laser cooling of ⁴⁰Ca⁺ ion on the way toward optical frequency standards have been developed. A single ⁴⁰Ca⁺ ion is trapped in the miniature Paul trap and laser cooled by two frequency-stabilized diode lasers. A commercial Ti:Sapphire laser system at 729 nm is referenced to a high-finesse cavity to meet the requirements of ultra narrow linewidth of the 4s²S_1/2-3d²D_5/2 electric quadrupole transition. Its center frequency is preliminarily measured to be 411 042 129 686.1 (2.6) kHz. The attempt to finally lock the 729-nm laser system to atomic transition is made. Further work to improve the accuracy of measurement and the stabilization of system locking is in consideration and preparation.      

Spectral intensities in the ν5 fundamental of 12CD3H

The absolute intensities of 68 transitions belonging to the ν₅ fundamental of ¹²CD₃H in the range 1237.8–1362.4 cm^?1 were measured at Doppler-limited resolution using a tunable diode laser spectrometer. The data were analyzed within the formulation based on contact transformations using a computer program to calculate the absolute intensities. The program leads to three parameters which allowed the reproduction of the line intensities with a relative uncertainty of 2.3% with respect to an experimental uncertainty of 2.5%. The band strength derived from the dipole moment is now equal to 25.34 cm^?2 atm^?1 at 296 K.     

Determination of the ν4 band strength of 12CH4 from diode laser line strength measurements

The strengths of over 50 lines in the ν₄ region of ¹²CH₄ were measured using a diode laser spectrometer. Forty-nine lines were assigned to transitions of the ν₄ band. Analysis of the strengths of these 49 lines leads to a value of the integrated band strength S₄⁰ = 127 ± 4 cm^?2 atm^?1 at 295.7 K; this value is compared to other recent band strength determinations. The Herman-Wallis factor, expressing the dependence of the transition moment on rotational quantum number, is also discussed.     

Absolute line intensity measurements in the ν2 bands of HDO and D2O using a tunable diode laser spectrometer

Absolute line intensities for several individual vibration-rotation transitions in the ν₂ bands of HDO and D₂O have been determined at room temperature from laboratory spectra recorded with a tunable diode laser spectrometer. Two tunable semiconductor diode lasers operating in the 1250- to 1350- and 1060- to 1140-cm⁻¹ spectral regions have been used in the recording of the data. Comparisons are made with previously published results where appropriate.     

Influence of parameters of gas medium on the fluorescence of iodine molecules 129I2, 127I129I and 127I2 excited by semiconductor laser radiation

Calculated and experimental results of studies of the influence of vapor temperature of iodine molecules (¹²⁹I₂, ¹²⁷I¹²⁹I, and ¹²⁷I₂) and pressure of the analyzed medium on the intensity of fluorescence of the molecules excited by semiconductor laser radiation in the red spectrum region are reported. It is demonstrated that depending on the wavelength of laser radiation there exist different ranges of temperatures and pressure values at which the fluorescence intensities of each of the indicated iodine molecules reach their maximum values.     

Interferometric frequency measurements of 130Te2 transitions at 486 nm

Doppler-free spectra of ¹³⁰Te₂ have been investigated in the region of 486 nm, close to the Balmer-β transitions atomic hydrogen and deuterium. The frequency ratios between a 633 nm He-Ne laser stabilized to the 11-5 R(127) “i” transition in ¹²⁷I₂ and two of these ¹³⁰Te₂ Doppler-free components have been measured interferometrically to a precision of 2 parts in 10¹⁰ (one standard deviation). These measured components constitute useful transfer standards for the measurement of absolute frequencies of both the Balmer-β transitions and the 243-nm two-photon 1S-2S transitions in hydrogen and deuterium.     

Two-photon spectroscopy of 15NH3 with isotopic CO2 lasers and double resonance studies with a new coincidence

Eleven transitions of the ν₂ band of ¹⁵NH₃ were measured by the technique of infrared-microwave two-photon spectroscopy using an isotopic CO₂ laser and 20-mW microwave power. By combining these results with those of previous two-photon measurements and with Stark laser spectroscopy results, the spectroscopic constants of this band were calculated. Using the previously unknown coincidence between the R(18) ¹³CO₂ laser line and the _asQ(5,4) infrared transition, velocity tuned multiple-photon Lamb-dip signals were observed. Very intense double resonance signals were observed on the (5,4), (6,4), and (4,4) microwave transitions and the magnitude of these effects was compared to those observed previously in ¹⁴NH₃.     

Er3+掺杂新型GeS2-In2S3-CsI玻璃上转换光谱性质研究

用熔融淬冷法制备了掺Er³⁺的80GeS₂-10In2S₃-10CsI(mol%)硫卤玻璃样品,测试了样品的热学稳定性、喇曼光谱、吸收光谱以及上转换光谱,分析了Er³⁺离子在该玻璃中的上转换发光机理.应用Judd-Ofelt理论计算分析了Er3+离子在该样品中的强度参量Ωt(t=2,4,6)、自发辐射跃迁几率A、荧光分支比β以及辐射寿命τrad等光谱参量.在980 nm LD泵浦激发下,首次在该种玻璃中观察到强烈的绿光(526 nm、549 nm),分别对应于2H11/2→4I15/2和4S3/2→4I15/2的跃迁,其中549 nm处绿光较强.549 nm处上转换荧光寿命为0.34 ms,量子效率为69%.同时研究了绿光(526 nm、549 nm)上转换发光强度随泵浦激发功率的变化,其发光曲线拟合斜率分别为1.71和2.03,表明绿光是双光子吸收过程.研究结果表明：掺Er³⁺的80GeS₂-10In2S₃-10CsI硫卤玻璃是一种上转换绿光激光器的潜在基质材料.