Communication : The origin of rotational enhancement effect for the reaction of H2O+ + H2 (D2)

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

46 Scopus Citations
View graph of relations

Author(s)

  • Anyang Li
  • Yongle Li
  • Hua Guo
  • Yuntao Xu
  • Bo Xiong
  • Yih-Chung Chang
  • C. Y. Ng

Detail(s)

Original languageEnglish
Article number011102
Journal / PublicationJournal of Chemical Physics
Volume140
Issue number1
Online published6 Jan 2014
Publication statusPublished - 7 Jan 2014

Link(s)

Abstract

We have measured the absolute integral cross sections (σ's) for H3O+ formed by the reaction of rovibrationally selected H2O+(X2B1; v1+v2+v3+ = 000; N+Ka+Kc+ = 000, 111, and 211) ion with H2 at the center-of-mass collision energy (Ecm) range of 0.03-10.00 eV. The σ(000), σ(111), and σ(211) values thus obtained reveal rotational enhancements at low Ecm <0.50 eV, in agreement with the observation of the previous study of the H2O+(X2B1) + D2 reaction. This Communication presents important progress concerning the high-level ab initio quantum calculation of the potential energy surface for the H2O+(X2B1) + H2 (D2) reactions, which has provided valuable insight into the origin of the rotational enhancement effect. Governed by the charge and dipole-induced-multipole interactions, the calculation shows that H2 (D2) approaches the H end of H2O+(X2B1) in the long range, whereas chemical force in the short range favors the orientation of H2 (D2) toward the O side of H2O+. The reorientation of H2O+ reactant ion facilitated by rotational excitation thus promotes the H2O+ + H2 (D2) reaction along the minimum energy pathway, rendering the observed rotational enhancement effects. The occurrence of this effect at low Ecm indicates that the long range charge and dipole-induced-multipole interactions of the colliding pair play a significant role in the dynamics of the exothermic H2O+ + H2 (D2) reactions. © 2014 AIP Publishing LLC.

Research Area(s)

Citation Format(s)

Communication: The origin of rotational enhancement effect for the reaction of H2O+ + H2 (D2). / Li, Anyang; Li, Yongle; Guo, Hua et al.
In: Journal of Chemical Physics, Vol. 140, No. 1, 011102, 07.01.2014.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

Download Statistics

No data available