Nuclear-Spin Selection Rules in the Chemistry of Interstellar Nitrogen Hydrides

作者：Rist Claire; Faure Alexandre^*; Hily Blant Pierre; Le Gal Romane

来源：Journal of Physical Chemistry A, 2013, 117(39): 9800-9806.

DOI：10.1021/jp312640a

Nitrogen hydrides are at the root of the nitrogen chemistry in interstellar space. The detailed modeling of their gas phase formation, however, requires the knowledge of nuclear spin branching ratios for chemical reactions involving multiprotonated species. We investigate in this work the nuclear spin selection rules in both exothermic and near thermoneutral ion-molecule reactions involved in the synthesis of ammonia, assuming full scrambling of protons in the reaction complexes. The formalism of Oka [J. Mol. Spectrosc. 2004, 228, 635] is employed for highly exothermic ion molecule and dissociative recombination reactions. For thermoneutral reaction, a simple state-to-state statistical approach is suggested, which is in qualitative agreement with both quantum scattering and microcanonical statistical:: calculations. This model is applied to the seven atom reaction NH4+ + H-2, of Possible importance in the nuclear spin thermalization of ammonia.

• 出版日期2013-10-3