Theoretical study on the scattering resonance state and isotope effect of the F + HD(H2) → HF + D(H) reactive system-Reference-Cited by-同舟云学术

Theoretical study on the scattering resonance state and isotope effect of the F + HD(H2) → HF + D(H) reactive system

Published:2009-05 Issue:5 Volume:87 Page:684-687
ISSN:0008-4042
Container-title:Canadian Journal of Chemistry
language:en
Short-container-title:Can. J. Chem.

Author:

Yue Hong¹²,Lu Xi¹²,Cai Zhengting¹²,Sun Xiaomin¹²

Affiliation:

1. Institute of Theoretical Chemistry, Shandong University, Jinan 250100, P.R. China.

2. Environment Research Institute, Shandong University, Jinan 250100, P.R. China.

Abstract

The scattering resonance state of the F + H2reactive system has been the focus of the reactive resonance or Feshbach resonance, since the reaction can generate infrared laser. The partial potential-energy surface is constructed with the ab initio method, and the formation mechanism of the scattering resonance is studied. The resonance energy is given, and the first resonance life is estimated. The F + H2and F + HD reactive systems are investigated simultaneously to study the isotope effect, and some valuable results are achieved.

Publisher

Canadian Science Publishing

Subject

Organic Chemistry,General Chemistry,Catalysis

Link

http://www.nrcresearchpress.com/doi/pdf/10.1139/V09-044

Reference20 articles.

1. Kuppermann, A. Potential energy surface and dynamics calculations.Edited byD.G. Truhlar. Plenum Publishing Corp. Vol. 375. 1981.

2. Reactive Resonance in a Polyatomic Reaction

3. Role of direct and resonant (compound state) processes and of their interferences in the quantum dynamics of the collinear H + H2 exchange reaction

4. Studies with crossed laser and molecular beams

5. Observation of a transition state resonance in the integral cross section of the F+HD reaction

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Scattering resonance state of Br+HBr(v=0)→BrH(v′=0)+Br reaction explored by partial potential energy surface method;Chemical Research in Chinese Universities;2013-11-07