Crossed beams studies of Mo(a 7S3) and Mo*(a 5S2) collisions with CH4 and C2H6

被引:33
作者
Hinrichs, RZ [1 ]
Willis, PA [1 ]
Stauffer, HU [1 ]
Schroden, JJ [1 ]
Davis, HF [1 ]
机构
[1] Cornell Univ, Baker Lab, Dept Chem & Biol Chem, Ithaca, NY 14853 USA
关键词
D O I
10.1063/1.481018
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The interactions of Mo(a S-7(3)) and Mo*(a S-5(2)) with methane, CH4, and ethane, C2H6, were studied under single collision conditions using the crossed molecular beams technique. Ground state Mo(a S-7(3)) atoms were found to be unreactive at all collision energies studied up to [E-coll] = 35.4 kcal/mol. Nonreactive scattering of Mo(a S-7(3)) with methane and ethane was studied and compared to collisions with Ne and Ar. A forward peaking center-of-mass angular distribution, T(Theta), was necessary to simulate the elastic collisions with inert gases as well as inelastic collisions with the alkanes. At a collision energy of 14.4 kcal/mol with CH4 and 21.0 kcal/mol with C2H6, inelastic collisions were found to transfer similar to 10% and similar to 19% of the initial kinetic energy into alkane internal energy, respectively. For collisions of Mo*(a S-5(2)) + CH4, the dehydrogenation product, MoCH2, was observed at all collision energies studied down to 2.1 kcal/mol. The reaction Mo*(a S-5(2)) + C2H6--> MoC2H4 + H-2 was observed down to [E-coll] = 4.5 kcal/mol. For a given total energy (electronic+translational), it was found that electronic energy is highly effective in promoting this reaction whereas translational energy is ineffective. (C) 2000 American Institute of Physics. [S0021-9606(00)00910-7].
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页码:4634 / 4643
页数:10
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