首页> 外文期刊>The Journal of Chemical Physics >QUANTUM-STATE DISTRIBUTIONS FOR THE HD PRODUCT OF THE DIRECT REACTION OF H(D)/CU(111) WITH D(H) INCIDENT FROM THE GAS PHASE
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QUANTUM-STATE DISTRIBUTIONS FOR THE HD PRODUCT OF THE DIRECT REACTION OF H(D)/CU(111) WITH D(H) INCIDENT FROM THE GAS PHASE

机译:H(D)/ CU(111)与气相中D(H)发生直接反应的HD产物的量子态分布

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We have determined the internal-state distribution for the HD product of the reaction of gas-phase D atoms with H atoms chemisorbed on Cu(111) and for the corresponding reaction of H atoms with chemisorbed D atoms. In the case of D-on-H, the populations of the vibrational states upsilon=0, 1, 2, and 3 are comparable, while that for upsilon=4 is considerably smaller, giving a mean vibrational energy of similar to 0.7 eV. The vibrational state distribution for H-on-D is similar, but in this case there is a clear peak at upsilon=1, even less population in upsilon=4, and a somewhat smaller mean vibrational energy of similar to 0.6 eV. The mean rotational energy falls with increasing upsilon in both cases, similar to 0.5 eV for upsilon=0 to <0.2 eV for upsilon=4, with an overall mean rotational energy of similar to 0.4 eV. The rotational distributions are distinctly narrower for H-on-D than for D-on-H. The maximum internal energy observed is similar to 2.3 eV, consistent with the total energy available to the product. Results are consistent with recent calculations. (C) 1996 American Institute of Physics. [References: 34]
机译:我们已经确定了气相D原子与化学吸附在Cu(111)上的H原子反应的HD产物以及H原子与化学吸附的D原子对应的反应的HD态内部分布。在D-on-H的情况下,upsilon = 0、1、2和3的振动状态的总体是可比较的,而upsilon = 4的振动状态的总体则要小得多,平均振动能量近似为0.7 eV。 H-on-D的振动状态分布相似,但是在这种情况下,upsilon = 1处有一个清晰的峰,upsilon = 4处的人口甚至更少,平均振动能量略小,接近0.6 eV。在两种情况下,平均旋转能均随上硅素的增加而下降,上硅素= 0时约为0.5 eV,上硅素= 4时<0.2 eV,总平均旋转能约为0.4 eV。 H-on-D上的旋转分布明显窄于D-on-H。观察到的最大内部能量类似于2.3 eV,与产品可用的总能量一致。结果与最近的计算一致。 (C)1996年美国物理研究所。 [参考:34]

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