Literature DB >> 17829631

The transition state of the f + h2 reaction.

D E Manolopoulos, K Stark, H J Werner, D W Arnold, S E Bradforth, D M Neumark.   

Abstract

The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively.

Year:  1993        PMID: 17829631     DOI: 10.1126/science.262.5141.1852

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  6 in total

1.  Probing the transition state via photoelectron and photodetachment spectroscopy of H(3)O(-).

Authors:  Dong H Zhang; Minghui Yang; Michael A Collins; Soo-Y Lee
Journal:  Proc Natl Acad Sci U S A       Date:  2002-08-19       Impact factor: 11.205

2.  Probing the resonance potential in the F atom reaction with hydrogen deuteride with spectroscopic accuracy.

Authors:  Zefeng Ren; Li Che; Minghui Qiu; Xingan Wang; Wenrui Dong; Dongxu Dai; Xiuyan Wang; Xueming Yang; Zhigang Sun; Bina Fu; Soo-Y Lee; Xin Xu; Dong H Zhang
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-07       Impact factor: 11.205

3.  HF(v' = 3) forward scattering in the F + H2 reaction: shape resonance and slow-down mechanism.

Authors:  Xingan Wang; Wenrui Dong; Minghui Qiu; Zefeng Ren; Li Che; Dongxu Dai; Xiuyan Wang; Xueming Yang; Zhigang Sun; Bina Fu; Soo-Y Lee; Xin Xu; Dong H Zhang
Journal:  Proc Natl Acad Sci U S A       Date:  2008-04-23       Impact factor: 11.205

4.  Orbiting resonances in the F + HD (v = 0, 1) reaction at very low collision energies. A quantum dynamical study.

Authors:  V Sáez-Rábanos; J E Verdasco; V J Herrero
Journal:  Phys Chem Chem Phys       Date:  2019-07-10       Impact factor: 3.676

5.  Complex Formation in Three-Body Reactions of Cl- with H2.

Authors:  Robert Wild; Markus Nötzold; Christine Lochmann; Roland Wester
Journal:  J Phys Chem A       Date:  2021-09-28       Impact factor: 2.944

6.  Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation.

Authors:  Brianna R Heazlewood; Meredith J T Jordan; Scott H Kable; Talitha M Selby; David L Osborn; Benjamin C Shepler; Bastiaan J Braams; Joel M Bowman
Journal:  Proc Natl Acad Sci U S A       Date:  2008-08-07       Impact factor: 11.205

  6 in total

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