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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Inelastic Scattering of CO with He: Polarization Dependent Differential State-to-State Cross Sections
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Inelastic Scattering of CO with He: Polarization Dependent Differential State-to-State Cross Sections

机译:He对CO的非弹性散射:偏振相关的微分状态间断面

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A joint theoretical and experimental study of state-to-state rotationally inelastic polarization dependent differential cross sections (PDDCSs) for CO (nu = 0, j = 0, 1, 2) molecules colliding with helium is reported for collision energies of 513 and 840 cm(-1). In a crossed molecular beam experiment, velocity map imaging (VMI) with state-selective detection by (2 + 1) and (1 + 1') resonance enhanced multiphoton ionization (REMPI) is used to probe rotational excitation of CO due to scattering. By taking account of the known fractions of the j = 0, 1, and 2 states of CO in the rotationally cold molecular beam (T-rot approximate to 3 K), close-coupling theory based on high-quality ab initio potential energy surfaces for the CO-He interaction is used to simulate the differential cross sections for the mixed initial states. With polarization-sensitive 1 + 1' REMPI detection and a direct analysis procedure described by Suits et al. ( J. Phys, Chem. A 2015, 119, 5925), alignment moments are extracted from the images and the latter are compared with images simulated by theory using the calculated DCS and alignment moments. In general, good agreement of theory with the experimental results is found, indicating the reliability of the experiment in reproducing state-to-state differential and polarization-dependent differential cross sections.
机译:报道了CO(nu = 0,j = 0,1,2)分子与氦碰撞的状态-状态旋转非弹性极化相关的微分截面(PDDCSs)的联合理论和实验研究,其碰撞能量为513和840厘米(-1)。在交叉分子束实验中,通过(2 +1)和(1 +1')共振增强多光子电离(REMPI)进行状态选择检测的速度图成像(VMI)用于探测由于散射而产生的CO的旋转激发。通过考虑旋转冷分子束(T-rot约3 K)中CO的j = 0、1和2状态的已知分数,基于高质量从头算势能面的紧密耦合理论对于CO-He相互作用,用于模拟混合初始状态的微分截面。 Suts等人描述了极化敏感的1 +1'REMPI检测和直接分析程序。 (J. Phys,Chem。A 2015,119,5925),从图像中提取对准力矩,并且使用计算出的DCS和对准力矩将后者与理论上模拟的图像进行比较。通常,理论上与实验结果吻合良好,表明该实验在再现状态间差分和偏振相关的差分截面方面的可靠性。

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