共查询到19条相似文献,搜索用时 62 毫秒
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慢电子与H2O分子弹性碰撞截面的计算 总被引:2,自引:2,他引:0
我们用H_2O分子的单中心类氖波函数推导了投射电子与H_2O分子之间相互作用势的解析表达式,其中包含了投射电子与H_2O分子间的静电库仑相互作用、极化作用及交换作用。我们应用上述解析表达式计算了投射电子在H_2O分子场中运动的畸变波函数、分波相移(l≤5)分波截面、总截面,动量转移截面及微分散射截面。 相似文献
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在Ar~(2 )离子和H_2,O_2分子碰撞实验研究中,发现这两个碰撞体系都存在三个激发通道:(1)双电子俘获激发通道,(2)单电子俘获激发通道,(3)靶直接激发通道。实验结果得到了ArⅠ,ArⅡ和HⅠ,OⅠ的发射截面,并分别比较了Ar~(2 ) H_2,Ar~(2 ) O_2,He~(2 ) H_2,He~(2 ) O_2碰撞体系的发射截面。 相似文献
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严格交换势用于研究低能电子与H2分子的弹性和非弹性散射截面,线性代数方法和R-矩阵传播子相结合求解基于振动密耦合方法的积分-微分耦合方程组,由此得到收敛的(0→0,0→1,0→2)散射微分截面和积分截面.理论计算结果与目前优秀的实验值和其他理论计算值进行了比较,表明基于振动密耦合方程的严格交换势在低能电子与H2分子振动激发散射中有重要作用.
关键词:
严格交换势
2分子振动激发')" href="#">H2分子振动激发
微分截面
积分截面 相似文献
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分析了C6 H6 分子振动能谱的涨落统计特征 .研究结果显示 ,C6 H6 分子振动能谱的涨落统计特征属于低Poisson型 ,即谱刚度值大于Poisson型与Wigner型 ,而能谱分维函数值则小于Poisson型与Wigner型 ,这是一种与通常的Poisson型、Wigner型完全不同的类型 ,该特性在一定程度上反映了C6 H6 分子结构的特殊性 . 相似文献
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Hanping Liu Li-Hong Xu Jin Sun 《International Journal of Infrared and Millimeter Waves》2000,21(3):395-406
A new associated pumping mechanism for masers in regions of star formation is presented, giving a unified interpretation for both H2O and OH interstellar masers. A very wide range of photons contributes to this mechanism, thus sufficient numbers of photons are available. A reasonable mechanism for the regeneration of interstellar H2O and OH molecules is presented. Therefore this model overcomes several drawbacks of former radiative mechanisms. It is both simple and compatible with astronomical conditions. 相似文献
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A method has been developed to study the dynamics of high barrier reactions by combining hot-atom production by laser photolysis and fast-product detection by laser induced fluorescence. The nascent OH rotational, vibrational and fine structure state distributions produced in the endothermic reaction
have been measured with hot hydrogen atoms from the photodissociation of HBr at 193 nm. OH rotational excitation is low and corresponds to a partitioning of only around 3% of the total reaction energy to OH rotation. OH could only be observed in the vibrational ground state, i.e.(v=1)/(v=0)0.1. The OH spin doublets are produced statistically, but the partitioning in the -doublets is very non-statistical with a strong preference for the +-component ((+)/(–)=3.2±1.0) demonstrating the exit channel of the reaction to be preferentially planar. By measuring reactant and product densities at short times, an absolute total cross-section of 0.24±0.1[Å2] has been obtained. 相似文献
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The time-dependent wave packet method is used to study the exchange and abstraction processes for the H+H2O reaction with both OH bonds in the H2O reactant treated as reactive bonds in full dimension. The calculation clearly shows that it is necessary to treat both OH bonds in this way in order to accurately investigate the exchange process. However, for the abstraction process, the spectator model works very well. Nonreactive treatment of one OH bond by using a few vibrational basis functions or even freezing the bond can yield very accurate abstraction reaction probability. 相似文献
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Ray L. Frost Silmarilly Bahfenne Jií ejka Jií Sejkora Sara J. Palmer Radek koda 《Journal of Raman spectroscopy : JRS》2010,41(6):690-693
Raman spectroscopy has been used to study the arsenate minerals haidingerite Ca(AsO3OH)·H2O and brassite Mg(AsO3OH)·4H2O. Intense Raman bands in the haidingerite spectrum observed at 745 and 855 cm−1 are assigned to the (AsO3OH)2−ν3 antisymmetric stretching and ν1 symmetric stretching vibrational modes. For brassite, two similarly assigned intense bands are found at 809 and 862 cm−1. The observation of multiple Raman bands in the (AsO3OH)2− stretching and bending regions suggests that the arsenate tetrahedrons in the crystal structures of both minerals studied are strongly distorted. Broad Raman bands observed at 2842 cm−1 for haidingerite and 3035 cm−1 for brassite indicate strong hydrogen bonding of water molecules in the structure of these minerals. OH···O hydrogen‐bond lengths were calculated from the Raman spectra based on empirical relations. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
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The rotational distribution of OH(X
2,v=0) radicals was investigated by resonant laser-induced fluorescence (LIF) after photolysis of H2O2 at 193 nm. A microcomputer equipped LIF arrangement allowed special shot-by-shot normalization of the fluorescence signal for noise reduction. Using a least-squares procedure we were able to account for all measured line intensities including overlapping lines (blends) and obtain a complete rotational state distribution of the OH(X
2,v=0) state. The rotational excitation shows a Gaussian-like distribution with a maximum atK=12 and with 16% of the total available energy (17,400 cm–1) appearing in rotation. Only 1% of the available energy is converted into vibration, leaving over 83% for translational excitation. The measured rotational distribution appears to fit a semiclassical theory. 相似文献
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T. M. Quagliaroli G. Laufer J. C. McDaniel 《Applied physics. B, Lasers and optics》1994,59(6):635-638
A method for the calibration of OH temperature measurements using laser-induced fluorescence is demonstrated. The technique depends on the thermal dissociation of water vapor in a furnace. The calibration was demonstrated for the excitation of theA
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+( = 3) –
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( = 0) band with a tunable KrF laser. Consistent discrepancies of 3% between calculated and measured temperatures with a standard deviation of 8 % were observed. 相似文献
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This paper employs the quasi-classical trajectory calculations to study the influence of collision energy on the title reaction on the potential energy surface of the ground 3A' triplet state developed by Rogers et al. (J. Phys. Chem. A 2000 104 2308). It calculates the product angular distribution of P(θr), P(φr) and P(θr, φr) which reflects vector correlation. The distribution P(θr) shows that product rotational angular momentum vectors j' of the products are strongly aligned along the relative velocity direction k. The distribution of P(φr) implies a preference for left-handed product rotation in planes parallel to the scattering plane. Four different polarisation-dependent cross-sections are also presented in the centre-of-mass frame. Results indicate that OH is sensitively affected by collision energies of H2. 相似文献
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Aoiz FJ Bañares L Castillo JF Brouard M Denzer W Vallance C Honvault P Launay JM Dobbyn AJ Knowles PJ 《Physical review letters》2001,86(9):1729-1732
Rigorous quantum dynamical calculations have been performed on the ground 1 1A' and first excited 1 1A" electronic states of the title reaction, employing the most accurate potential energy surfaces available. Product rovibrational quantum state populations and rotational angular momentum alignment parameters are reported, and are compared with new experimental, and quasiclassical trajectory calculated results. The quantum calculations agree quantitatively with experiment, and reveal unequivocally that the 1 1A" excited state participates in the reaction. 相似文献
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《Surface science》1989,223(3):L905-L912
We have investigated the temperature dependence of the desorption rate of OH produced in the oxidation of hydrogen on polycrystalline Pt by using laser induced fluorescence (LIF). Arrhenius type plots of OH desorption rates give quite straight lines, with an “apparent” desorption energy, EaOH, in the rang 1.4–2.3 eV depending on the relative hydrogen concentration. EaOH, differs from the “true” desorption energy, EdOH, due to the temperature dependence of the surface coverage of θOH,. Knowing θOH, from kinetic modelling calculation of this reaction we deduce EdOH, to be 2.0 ± 0.15 eV. 相似文献