Energy Resonance and Inverse Population of the Product Vibrational States for the Reaction F+H2(v=0)→HF(v′)+H,LCAC-SW Theoretical Quantum Scattering Study

• 来源期刊: 中国化学（英文版）
• 学科: 化学
• 年，卷（期）: 2001,（11）
• 页码范围: 1033-1036
• 页数: 4页
• 分类号: O6
• 语种: 英文

摘要

LCAC-SW (linear combination of arrangement channel-scattering wavefunction) method was used to calculate collinear state-to-state reaction probabilities for the reaction F+ H2(v =0)→ HF ( v ′) + H on the 6SEC potential energy surface. The results show that reaction probabilities P02 and P03 [ i. e. , v ′=2,3 for reaction F+ H-2(v = 0)→HF(v ′) + H] are primary, the population of product vibrational states is inverse and the reaction probabilities are oscillatory with collision energies,i.e., there is energy resonance in this reaction, which agrees with a new experiment.