Literature DB >> 15918708

Rates of complex formation in collisions of rotationally excited homonuclear diatoms with ions at very low temperatures: application to hydrogen isotopes and hydrogen-containing ions.

E I Dashevskaya1, I Litvin, E E Nikitin, J Troe.   

Abstract

State-selected rate coefficients for the capture of ground and rotationally excited homonuclear molecules by ions are calculated, for low temperatures, within the adiabatic channel classical (ACCl) approximation, and, for zero temperature, via an approximate calculation of the Bethe limit. In the intermediate temperature range, the accurate quantal rate coefficients are calculated for j = 0 and j = 1 states of hydrogen isotopes (H2, HD, and D2) colliding with hydrogen-containing ions, and simple analytical expressions are suggested to approximate the rate coefficients. For the ground rotational state of diatoms, the accurate quantal rate coefficients are higher compared to their ACCl counterparts, while for the first excited rotational state the reverse is true. The physical significance of quantum effects for low-temperature capture and the applicability of the statistical description of capture are considered. Particular emphasis is given to the role of Coriolis interaction. The relevance of the present capture calculations for rates of ortho-para conversion of H2 in collisions with hydrogen-containing ions at low temperatures is discussed.

Entities:  

Year:  2005        PMID: 15918708     DOI: 10.1063/1.1889425

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Molecular hydrogen interacts more strongly when rotationally excited at low temperatures leading to faster reactions.

Authors:  Yuval Shagam; Ayelet Klein; Wojciech Skomorowski; Renjie Yun; Vitali Averbukh; Christiane P Koch; Edvardas Narevicius
Journal:  Nat Chem       Date:  2015-10-05       Impact factor: 24.427

2.  Multipole-moment effects in ion-molecule reactions at low temperatures: part III - the He+ + CH4 and He+ + CD4 reactions at low collision energies and the effect of the charge-octupole interaction.

Authors:  Valentina Zhelyazkova; Fernanda B V Martins; Frédéric Merkt
Journal:  Phys Chem Chem Phys       Date:  2022-07-06       Impact factor: 3.945

3.  Reactions of H2, HD, and D2 with H2+, HD+, and D2+: Product-Channel Branching Ratios and Simple Models.

Authors:  Frédéric Merkt; Katharina Höveler; Johannes Deiglmayr
Journal:  J Phys Chem Lett       Date:  2022-01-19       Impact factor: 6.475

4.  Multipole-moment effects in ion-molecule reactions at low temperatures: part II - charge-quadrupole-interaction-induced suppression of the He+ + N2 reaction at collision energies below kB·10 K.

Authors:  Valentina Zhelyazkova; Fernanda B V Martins; Matija Žeško; Frédéric Merkt
Journal:  Phys Chem Chem Phys       Date:  2022-02-02       Impact factor: 3.676

  4 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.