首页> 外文期刊>The Journal of Chemical Physics >Theoretical investigation of rotationally inelastic collisions of OH(X-2 Pi) with hydrogen atoms
【24h】

Theoretical investigation of rotationally inelastic collisions of OH(X-2 Pi) with hydrogen atoms

机译:Theoretical investigation of rotationally inelastic collisions of OH(X-2 Pi) with hydrogen atoms

获取原文
获取原文并翻译 | 示例
           

摘要

State-to-state cross sections and rate coefficients for transitions between rotational/fine-structure levels of OH(X-2 Pi) induced by collisions with atomic hydrogen are reported in this work. The scattering calculations take into account the full open-shell character of the OH + H system and include the four potential energy surfaces ((1)A ', (1)A '', (3)A ', (3)A '') that correlate with the OH(X-2 Pi) + H(S-2) asymptote. Three of these surfaces are repulsive, while the deep H2O well is present on one surface ((1)A '). The OH + H potential energy curves calculated by Alexander et al. [J. Chem. Phys. 121, 5221 (2004)] are employed in this work. Time independent quantum scattering calculations were performed using the quantum statistical method of Rackham and co-workers [Chem. Phys. Lett. 343, 356 (2001)] because of the presence of the deep H2O well. The computed cross sections include contributions from direct scattering, as well formation and decay of a transient collision complex since the transient HO-H complex is expected to decay nonreactively. Rate coefficients for OH-H inelastic collisions are of interest for astrophysical applications.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号