Nonadiabatic Renner–Teller quantum dynamics of OH(X2Π) + H+ reactive collisions

Author:

Gamallo Pablo12345ORCID,Akpinar Sinan6789,Defazio Paolo1011121314,Petrongolo Carlo1516171819

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional

2. Universitat de Barcelona

3. C/Martí i Franquès 1

4. 08028 Barcelona

5. Spain

6. Department of Physics

7. Firat University

8. 23169 Elazig

9. Turkey

10. Dipartimento di Biotecnologie

11. Chimica

12. e Farmacia

13. Università di Siena

14. Via A. Moro 2

15. Istituto per i Processi Chimico Fisici

16. Consiglio Nazionale delle Ricerche

17. Via G. Moruzzi 1

18. 56124 Pisa

19. Italy

Abstract

Following previous studies on the O(3P) + H2+(X2Σg+) collisions, we present the nonadiabatic quantum dynamics of the reactions OH(X2Π) + H′+ → OH′(X2Π) + H+, exchange (e), → OH+(X3Σ) + H′(2S), quenching (q), and → OH′+(X3Σ) + H(2S), exchange-quenching (eq).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference17 articles.

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3. Identification of H_{2}O in the Tail of Comet Kohoutek (1973f).

4. Potential energy surfaces and quasiclassical trajectory study of the O + H2+→ OH++ H, OH + H+proton and hydrogen atom transfer reactions and isotopic variants (D2+, HD+)

5. Born–Oppenheimer and Renner–Teller coupled-channel quantum reaction dynamics of O(3P) + H2+(X2Σg+) collisions

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