Differential and integral cross sections for the rotationally inelastic scattering of methyl radicals with H2 and D2.

摘要: Comparisons are presented of experimental and theoretical studies the rotationally inelastic scattering CD3 radicals with H2 D2 collision partners at respective energies 680 ± 75 640 60 cm−1. Close-coupling quantum-mechanical calculations performed using a newly constructed ab initio potential energy surface (PES) provide initial-to-final rotational level (n, k → n′, k′) integral differential cross sections (ICSs DCSs). The DCSs compared crossed molecular beam velocity map imaging measurements angular distributions, which serve as critical test accuracy new PES. In general, there is very good agreement between calculations. for from both peak in forward hemisphere n′ = 2–4 shift more to sideways backward 5. For 6–8, dominated by scattering. particular n transition have a...