O₂(v)+O₂碰撞中的自旋-轨道耦合：一种新的能量转移机制。

Spin-orbit coupling in O2(v)+O2 collisions: a new energy transfer mechanism.

作者信息

Dayou Fabrice, Campos-Martinez José, Hernández Marta I, Hernández-Lamoneda Ramón

机构信息

Instituto de Matemáticas y Física Fundamental, Consejo Superior de Investigaciones Científicas, Serrano 123, 28006 Madrid, Spain.

出版信息

J Chem Phys. 2004 Jun 8;120(22):10355-8. doi: 10.1063/1.1759311.

DOI:10.1063/1.1759311

PMID:15268061

Abstract

A reduced dimensionality model is used to study the relaxation of highly vibrationally excited O(2)(X (3)Sigma(g) (-),v>/=20) in collisions with O(2)(X (3)Sigma(g) (-),v=0). Spin-orbit coupled potential energy surfaces are employed to incorporate the vibrational-to-electronic energy transfer mechanism involving the O(2)(a (1)Delta(g)) and O(2)(b (1)Sigma(g) (+)) excited states. The transition probabilities obtained show a sharp increase for v>/=26 providing the first direct evidence of the important role played by the electronic energy transfer processes in the depletion of O(2)(X (3)Sigma(g) (-),v>/=26).

摘要

使用降维模型研究高振动态激发的O₂(X³Σg⁻, v≥20)与O₂(X³Σg⁻, v = 0)碰撞时的弛豫过程。采用自旋 - 轨道耦合势能面来纳入涉及O₂(a¹Δg)和O₂(b¹Σg⁺)激发态的振动 - 电子能量转移机制。得到的跃迁概率表明，当v≥26时跃迁概率急剧增加，这首次直接证明了电子能量转移过程在O₂(X³Σg⁻, v≥26)耗尽中所起的重要作用。