首页> 外文期刊>The Journal of Chemical Physics >PHOTOEMISSION CROSS SECTIONS FOR CH RADICALS PRODUCED BY COLLISIONS OF HE(2(3)S) ATOMS WITH CH(3)X (X=H, CL, BR, I)
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PHOTOEMISSION CROSS SECTIONS FOR CH RADICALS PRODUCED BY COLLISIONS OF HE(2(3)S) ATOMS WITH CH(3)X (X=H, CL, BR, I)

机译:HE(2(3)S)原子与CH(3)X(X = H,CL,BR,I)碰撞产生的CH自由基的光生化截面

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摘要

Photoemission cross sections (a,,) for the A-X, B-X, and C-X bands of CH resulting from the He(2 S-3) + CH(3)X (X = H, Cl, Br, I) reaction have been studied in the relative collision energy (E(R)) of 120-210 meV. Formation cross sections (sigma) for CH(A, B, C) were evaluated from the sigma(em)'s taking account of predissociation: A good correlation was found between the sum of the sigma's for CH and the dipole-induced dipole interaction of He(2 S-3) with targets. The sigma(em)'s from methane increase with E(R), while those from methyl halides decrease with increasing E(R). The positive energy dependence for methane implies that effective potentials leading to CH are repulsive, whereas attractive potentials play a dominant role in the reaction of He(2 S-3) With methyl halides. Model potentials between CH3Cl and He*(Li) calculated using ab initio molecular orbital methods indicate that He(2 S-3) approaches CH3Cl not from CH3 side but from Cl side. (C) 1997 American Institute of Physics. [References: 52]
机译:研究了He(2 S-3)+ CH(3)X(X = H,Cl,Br,I)反应产生的CH的AX,BX和CX谱带的光发射截面(a ,,)相对碰撞能量(E(R))为120-210 meV。 CH(A,B,C)的形成截面(sigma)是根据sigma(em)的预解离来评估的:CH的sigma的总和与偶极子诱发的偶极子相互作用之间存在良好的相关性He(2 S-3)与目标。甲烷的sigma(em)随E(R)的增加而增加,而甲基卤的sigma(em)随E(R)的增加而减小。甲烷的正能量依赖性表明,导致CH的有效电势是排斥性的,而有吸引力的电势在He(2 S-3)与卤代甲烷的反应中起主要作用。使用从头算分子轨道方法计算得出的CH3Cl与He *(Li)之间的模型电势表明,He(2 S-3)并非从CH3侧而是从Cl侧接近CH3Cl。 (C)1997美国物理研究所。 [参考:52]

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