Experimental and theoretical differential cross sections for the reactions Cl+H2/D2

摘要: Experimental and theoretical differential cross sections for the reactions between Cl atoms two isotopic variants of molecular hydrogen (H2 D2) are presented. The experimental results have been obtained by using crossed beam method with mass spectrometric detection. computed both quasiclassical trajectory quantum mechanical (QM) methods. potential energy surface employed calculations is ab initio BW2 Bian Werner [J. Chem. Phys. 112, 220 (2000)]. directly compared to experiments in laboratory frame at a collision (Ec) 4.25 5.85 kcal/mol Cl+H2 reaction 4.9 6.3 Cl+D2 reaction. agreement QM experiment quite satisfactory reaction, especially low energy, while less good, when considering data lower Ec.