Issue 33, 2013

A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2–H

Abstract

We present a new theoretical method to treat the atom–diatom radiative association within a time independent approach. This method is an adaptation of the driven equations method developed for photodissociation. The bound state energies and wave functions of the molecule are calculated exactly and used to propagate the overlap with the initial scattering wave function. In the second part of this paper, this approach is applied to the radiative association of the N2H anion. The main features of the radiative association cross sections are analysed and the magnitude of the calculated rate coefficient at 10 K is used to discuss the existence of the N2H in the interstellar medium which could be used as a tracer of both N2 and H.

Graphical abstract: A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2–H−

Article information

Article type
Paper
Submitted
01 Mar 2013
Accepted
21 Jun 2013
First published
24 Jun 2013

Phys. Chem. Chem. Phys., 2013,15, 13818-13825

A new theoretical method for calculating the radiative association cross section of a triatomic molecule: application to N2–H

T. Stoecklin, F. Lique and M. Hochlaf, Phys. Chem. Chem. Phys., 2013, 15, 13818 DOI: 10.1039/C3CP50934F

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