Rotationally inelastic scattering of methyl radicals with Ar and N2

被引:10
|
作者
Tkac, Ondrej [1 ]
Ma, Qianli [2 ]
Stei, Martin [3 ]
Orr-Ewing, Andrew J. [1 ]
Dagdigian, Paul J. [2 ]
机构
[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England
[2] Johns Hopkins Univ, Dept Chem, Baltimore, MD 21218 USA
[3] Univ Innsbruck, Inst Ionenphys & Angew Phys, A-6020 Innsbruck, Austria
来源
JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 01期
基金
英国工程与自然科学研究理事会;
关键词
DIFFERENTIAL CROSS-SECTIONS; CORRELATED MOLECULAR CALCULATIONS; GAUSSIAN-BASIS SETS; DIFFRACTION OSCILLATIONS; STERIC ASYMMETRY; NO; COLLISIONS; HE; EXCITATION; ALIGNMENT;
D O I
10.1063/1.4904901
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 rotationally inelastic scattering of methyl radical with Ar and N-2 is examined at collision energies of 330 +/- 25 cm(-1) and 425 +/- 50 cm(-1), respectively. Differential cross sections (DCSs) were measured for different final n' rotational levels (up to n' = 5) of the methyl radicals, averaged over k' sub-levels, using a crossed molecular beam machine with velocity map imaging. For Ar as a collision partner, we present a newly constructed ab initio potential energy surface and quantum mechanical scattering calculations of state-resolved DCSs. These computed DCSs agree well with the measurements. The DCSs for both Ar and N-2 collision partners are strongly forward peaked for all spectroscopic lines measured. For scattering angles below 60 degrees, the theoretical CD3-Ar DCSs show diffraction oscillations that become less pronounced as n' increases, but these oscillations are not resolved experimentally. Comparisons are drawn with our recently reported DCSs for scattering of methyl radicals with He atoms. (C) 2015 AIP Publishing LLC.
引用
收藏
页数:10
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