邻羟基苯腈的双色共振增强多光子电离光谱及Franck-Condon模拟

在自制直线式飞行时间质谱仪上进行了双色共振增强双光子电离实验,获得了振动分辨的邻羟基苯腈的共振增强多光子电离(resonance enhanced multiphoton ionization, REMPI)光谱,结合高精度密度泛函理论计算和Franck-Condon光谱模拟,详细分析了光谱特征,发现了大量基频、泛频和组合振动,并进行了光谱归属.大部分苯环的基频振动归属为环在平面内的畸变或平面内的摇摆,这与分子激发过程中苯环的扩张有关.理论和实验结果都表明, REMPI光谱的低频段信号强,背景低,谱带少,分辨率好.随着振动频率的增加,信号向相反的方向变化.这是由于低频段光谱主要来自于低频的基频振动、少量泛频的贡献.随着振动频率增加,泛频和各种模的组合振动逐渐增多,导致了高频区谱带稠密,分辨率变差.高阶振动和多模的组合振动通常有较低的Franck-Condon因子,因此信号随频率增大逐渐变弱,信噪比变差.     

6-甲基吲哚的共振多光子电离光谱分析

获得了6-甲基吲哚的单色共振多光子电离和双色共振多光子电离光谱,发现了在电子激发态的较强的CH3的转动谱线.根据理论计算对观察到的激发态光谱进行了标识,确定了更准确的电离能为60967±5cm-1.     

三氯乙烯分子的多光子电离解离研究

用可调谐染料激光器 ,在 4 5 0— 4 75 nm范围内 ,在飞行时间质谱仪上研究了三氯乙烯分子的共振增强多光子电离解离过程。研究表明 ,在此实验波段内三氯乙烯分子经历了从 π到 3d里德堡态的 (3 1 )多光子过程 ,可以用母体离子阶梯开关模型对三氯乙烯的电离解离过程进行解释 ,并对振动能级进行了标识 ,对振动频率进行了计算     

溴乙烷分子的质量分辨阈值光谱

利用单色双光子(1C2P)技术得到了高精度的溴乙烷分子的质量分辨阈值(MATI)光谱，精确给出了溴乙烷分子的绝热电离势和离子振动频率.从中性基态到离子基态两个自旋-轨道分量X₁ ²E_1/2和X₂ ²E_1/2的绝热电离势分别为83097±3 cm^-1和85452±3 cm^-1，离子基态两个自旋-轨道分量的间隔为2355±6 cm^-1，这些值与文献报道值符合得较好，且精度更高.溴乙烷分子的单色双光子质量分辨阈值光谱展现出丰富的振动结构，这是在溴乙烷分子相继吸收两个光子的过程中波包在解离态势能面上演化的结果.以已有的离子振动谱标识为参考，以中性分子的振动频率为基础，标识了溴乙烷分子的质量分辨阈值光谱，发现观测到的振动模几乎都和溴乙烷分子的解离运动有关，其中还包括一些非全对称模. 关键词： 质量分辨阈值光谱 振动模 单色双光子零动能光谱技术 溴乙烷     

钠分子高位态(2~1Π_g)有关振转能级动力学参数的测定

用共振多光子电离光谱技术，检测钠分子Ｘ１Σ＋ｇ→２１Πｇ在１６５７４．５ｃｍ－１～１６５９０．５ｃｍ－１之间的共振电离信号激发谱，根据有关分子常数和德哈姆展开式，标识了其中三条谱线。借助于电离流时间衰减曲线，测量得出了上述三条谱线对应的振动能级的动力学参数     

423—475nm的激光作用下呋喃分子的多光子电离离解研究

在波长为423—475nm的激光作用下对呋喃分子的多光子电离离解过程进行了研究.在此实验波段内,呋喃分子主要经历的是(3+1)多光子过程.得到了呋喃分子的共振多光子电离分质量谱以及离子强度与激光强度的关系.对共振多光子电离谱峰进行了里德堡态标识. 关键词：     

钠分子高位态（2^1Пg）有关振转能级动力学参数的测定

用共振多光子电离光谱技术，检测钠分子Ｘ＾１∑＾＋ｇ→２′Пｇ在１６５７４．５ｃｍ＾－１～１６５９０．５ｃｍ＾－１之间的共振电离信号激发谱，根据有关分子常数和德哈姆展开式，标识了其中三条谱线，借助于电流时间衰减曲线，测量得出上述三条谱线对应的振动能级的动力学参数。     

丙酮分子的分质量共振多光子电离光谱及多光子电离—离解机理研究

用多光子电离飞行时间质谱法三光子与丙酮分子３ｄ形态和４ｓ态共振的激光波长区域获得了丙酮分子的共振多光子电离分质量多光子电离（ＭＰＩ）光谱和飞行时间质谱，实验观察到的主要产物是ＣＨ３ＣＯ＾＋和ＣＨ＾＋３，还观察到了少量的Ｃ＾＋，ＣＨ＾＋，ＣＨ＾＋２和ＣＨＯ＾＋，在实验的激光波长范围内未见到母体离子，分质量多光子电离光谱具有相似的光谱结构，几个主要谐峰分别对应着（ｎ０，３ｄ）和（ｎ０，４ｓ）里德堡跃迁     

丙酮分子的共振增强多光子电离解离过程的实验研究

报道了在280—286.5nm区域内，通过共振增强多光子电离-飞行时间质谱和质量选择光电离激发谱对丙酮分子的光电离和光解离通道进行了研究，并对部分碎片离子的分质量激发谱进行了归属和标识.实验结果表明，在280—286.5nm紫外光波段内，丙酮分子以母体分子的电离通道为主，即首先电离生成母体离子然后母体离子再吸收光子解离生成碎片离子. 关键词： 丙酮 共振增强多光子电离 飞行时间质谱     

332—362nm范围内CF2Cl自由基的共振增强多光子电离研究

用CF₂Cl₂分子直流脉冲放电的方法产生CF₂Cl自由基，结合共振增强多光子电离(REMPI)技术，测量了332—362nm波长范围内CF₂Cl自由基的(2+1)REMPI光谱，分析并标识了4s Rydberg态带源位于(ν_0—0=55371cm^-1)，两个被激活振动模ω′₃(CF₂剪式振动模)和ω₄′(OPL 关键词：     

全球变暖背景下温室效应的光谱能量分布分析

利用一维辐射传递方程及LBLRTM逐线积分模式建立计算模型,对工业革命前与目前大气构成情况下温室效应的能量分布及其光谱吸收机理进行分析,在保持温室气体浓度为当前水平的基础上,研究温室效应能量分布与地表温度之间的相互耦合机理.结果表明:工业革命前地球的温暖环境主要来自于大气温室气体的(100~370)cm^-1、(640~710)cm^-1以及(1370~2000)cm^-1三个强吸收带对于地球长波辐射的吸收,而地球当前的变暖则源自于大气的(370~640)cm^-1和(710~1370)cm^-1两个弱吸收带的作用,其对工业革命以来所额外增加的温室效应贡献分别达到了25%和55%;地表温度升高,温室效应在全波段范围内也会随之增强,但不同谱带处的温室效应贡献以地球平均温度所对应的辐射峰值波数为界线,峰值波数右侧的温室效应贡献将会增加,在其左侧的贡献比例则会减小.     

Production of cold CN molecules by photodissociating ICN precursors in brute-force field

We theoretically investigate the production of cold CN molecules by photodissociating ICN precursors in a brute-force field. The energy shifts and adiabatic orientation of the rotational ICN precursors are first investigated as a function of the external field strength. The dynamical photofragmentation of ICN precursors is numerically simulated for cases with and without orienting field. The CN products are compared in terms of their velocity distributions. A small portion of the CN fragments are recoiled to near zero speed in the lab frame by appropriately selecting the photo energy for dissociation. With a precursor ICN molecular beam of ～ 1.5 K in rotational temperature, the production of low speed CN fragments can be improved by more than 5 times when an orienting electrical field of 100 k V/cm is present. The corresponding production rate for decelerated fragments with speeds ≤ 50 m/s is simulated to be about ～2.1×10~(-4) and CN number densities of 10~(8) –10~(10) cm~(-3) can be reached with precursor ICN densities of ～10~(12) –10~(14) cm~(-3) from supersonic expansion.     

Near-infrared absorptions of monomethylhydrazine

The peak absorption coefficients for two near-infrared absorptions of monomethylhydrazine, CH₃-N₂H₃, (MMH) were measured. Absorption bands located at 1.524 μm (6560 cm^-1), 1.557 μm (6423 cm^-1), and 1.583 μm (6316 cm^-1) are assigned to the υ = 2 overtones of the infrared N-H stretching fundamentals at 3317, 3245 and 3177 cm^-1. An absorption band located at 1.04 μm (9620±100 cm^-1) is assigned to the υ = 3 overtone of one of these fundamentals. The peak absorption coefficients (₁₀) at 1.524 μm (6560±20 cm^-1) and 1.04 μm (9620±100 cm^-1) are 31 × 10^-3 and 0.97 × 10^-3 (cm atm)^-1, respectively. Uncertainties in these coefficients were estimated to be less than ±20% due primarily to uncertainties in the partial vapor pressure of MMH.     

A two-component model for the electron distribution function in ahigh-current pseudospark or back-lighted thyratron

Temperature, energy, and densities of two electron distribution function components, including an isotropic bulk part and an anisotropic beam, are analyzed for a hydrogen pseudospark and/or back-lighted thyratron switch plasma with a peak electron density of 1-3×10¹⁵ cm^-3 and peak current density of ≈10⁴ A/cm². Estimates of a very small cathode-fall width during the conduction phase and high electric field strengths lead to the injection of an electron beam with energies ⩾100 eV and density of 10¹³-10¹⁴ cm^-3 into a Maxwellian bulk plasma. Collisional and radiative processes of monoenergetic beam electrons, bulk plasma electrons and ions, and atomic hydrogen are modeled by a set of rate equations, and line intensity ratios are compared with measurements. Under these high-current conditions, for an initial density n_H2=10¹⁶ cm^-3 and electron temperature of 0.8-1 eV, the estimated beam density is ≈10¹³ -10¹⁴ cm^-3. These results suggest the possibility of producing in a simple way a very high-density electron beam     

Bi2ZnOB2O6单晶偏振拉曼光谱

本文通过分析不同几何配置下的偏振拉曼光谱对非线性光学晶体的晶格振动模式进行了研究. 首先根据因子群分析,将晶体的振动模按晶体对称群的不可约表示进行分类,其次测量了晶体在10–1600 cm^-1范围内,不同几何配置下的偏振拉曼光谱,并在此基础上指认了晶体的晶格振动模式. 300 cm^-1以下的振动峰,归结为晶体的外振动,来自[BiO₆],[ZnO₄],[BO₄]和[BO₃]原子基团的平动和转动;300cm^-1以上为晶体的内振动,主要与Bi-O,和Zn-O键振动有关. 晶体拉曼光谱中最高振动频率达到1407 cm^-1,被指认为[BO₃]三角形中B-O键的伸缩振动,体现了[BO₃]基团中高的电子非局域化程度. 关键词： 2ZnOB₂O₆单晶')" href="#">Bi₂ZnOB₂O₆单晶 偏振拉曼光谱 振动模式     

Characterization of III–V compounds by quasi-elastic electronic scattering of light

Quasi-elastic light scattering from individual electron single-particle excitations is observed experimentally and studied theoretically in n-GaAs and n-InP samples with nonparabolic dispersion of energy bands for a wide range of free-electron concentrations varying from ≈10⁸ to ≈10¹⁹ cm^-3. The results indicate that the scattering mechanisms associated with charge-, spin- and momentum-density fluctuations are represented by different light scattering line shapes and occur in different concentration ranges.     

温稠密钛电导率计算

温稠密物质是惯性约束核聚变、重离子聚变、Z箍缩动作过程中物质发展和存在的重要阶段. 其热力学性质和辐射输运参数在聚变实验和内爆驱动力学模拟过程中有至关重要的作用. 本文通过建立非理想Saha方程, 结合线性混合规则的理论方法模拟了温稠密钛从10^-5-10 g·cm^-3, 10⁴ K到3×10⁴ K区间的粒子组分分布和电导率随温度密度的变化, 其中粒子组分分布由非理想Saha方程求解得到. 线性混合规则模型计算温稠密钛的电导率时考虑了包括电子、原子和离子之间的多种相互作用. 钛的电导率的计算结果与已有的爆炸丝实验数据相符. 通过电导率随温度密度变化趋势判断, 钛在整个温度区间, 密度0.56 g·cm^-3时发生非金属相到金属相相变. 对于简并系数和耦合系数的计算分析, 钛等离子体在整个温度和密度区间逐渐从弱耦合、非简并状态过渡到强耦合部分简并态.     

C+注入a-SiNx：H薄膜的微结构及光发射的研究

常温下对低压化学气相沉积制备的纳米硅镶嵌结构的a-SiN_x:H薄膜进行低能量高剂量的C⁺注入后,在800~1200℃高温进行常规退火处理。X射线光电子能谱(XPS)及X射线光电子衍射(XRD)等实验结果表明,当退火温度由800℃升高到1200℃后,薄膜部分结构由SiC_xN_y转变成SiN_x和SiC的混合结构。低温下利用真空紫外光激发,获得分别来自于SiN_x、SiC_xN_y、SiC的,位于2.95,2.58,2.29 eV的光致发光光谱。随着退火温度的升高,薄膜的结构发生了变化,发光光谱也有相应的改变。     

Fe+注入植物种子射程实验的Monte-Carlo仿真

研究表明,TRIM程序运算结果与实验测量离子注入种子的射程分布数据相差甚远.本文根据种子微结构的特点,综合考虑多种因素,设计种子微结构模型和运算程序,用Monte-Carlo仿真不同能量（110 keV,20 keV,200 keV）、不同注量（2×10¹⁶ ions·cm^-2,5×10¹⁶ ions·cm^-2,10¹⁷ ions·cm^-2,2×10¹⁷ ions·cm^-2）的Fe⁺注入花生、彩棉、小麦种子的射程分布,结果显示本设计程序仿真的结果与实验测量数据较为吻合.所获得的注入离子与种子微结构相互作用的随机抽样模拟运算方法,为离子注入与生命体相互作用的理论研究提供新的思路.     

Carrier and mobility profile measurements in n-type ion-implanted GaAs by the differential sheet resistivity and Hall effect technique

Multiple energy ion implantation facilities have been used to prepare essentially box-shaped dopant profiles in GaAs with plateau concentrations between 2 x 10¹⁶ and 8 x 10¹⁷ cm^-3. The implanted species was ²⁸Si⁺. The ion energies ranged between 40 and 400 keV. The depletion depth correction applied to the carrier and mobility profiles in the plateaux did not affect the data values but only their depth scale. Thus, in these regions the measured data (without any feed-back correction) were used to study the electrical properties of the implanted layers. Doping efficiencies between 65% and 81% and carrier mobilities in the range 3000 to 6000 cm² V^-1s^-1 were measured. Activation thresholds in the range 10¹⁵ to 10¹⁶ cm^-3 were estimated.