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A quantum chemical study of the N2H+ + e→NH + N reaction

D Talbi

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A theoretical investigation of the DR of N2H+ to give N + NH has been undertaken because it is of interest for astrochemistry but also because the DR of N2H+ has been determined experimentally leading to controversial results. Using the same level of theory used to investigate the DR of N2H+ along the N2 + H reaction path, the present study shows that the lowest repulsive state of N2H leading to the NH and N fragments in their ground electronic states is likely going to cross the N2H+ ionic curve far above its v = 0 vibrational energy level. This study suggests that the DR of N2H+ to give N + NH should not be efficient in the low temperature of the interstellar clouds.


PACS

82.30.Fi Ion-molecule, ion-ion, and charge-transfer reactions

95.30.Ft Molecular and chemical processes and interactions

33.20.Tp Vibrational analysis

82.30.Lp Decomposition reactions (pyrolysis, dissociation, and fragmentation)

Subjects

Atomic and molecular physics

Astrophysics and astroparticles

Chemical physics and physical chemistry

Dates

Issue 1 (2009)



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