Helionitronium trication (NO2He3+) and helionitrosonium trication (HeNO3+)

G A Olah; G K Prakash; G Rasul

doi:10.1073/pnas.96.7.3494

Helionitronium trication (NO2He3+) and helionitrosonium trication (HeNO3+)

Proc Natl Acad Sci U S A. 1999 Mar 30;96(7):3494-5. doi: 10.1073/pnas.96.7.3494.

Authors

G A Olah¹, G K Prakash, G Rasul

Affiliation

¹ Loker Hydrocarbon Research Institute and Department of Chemistry, University of Southern California, University Park, Los Angeles, CA 90089-1661, USA.

Abstract

The structures and stabilities of helionitronium trication NO2He3+ and helionitrosonium trication HeNO3+ were calculated at the ab initio MP2/6-31G** level. The Cs symmetry structure was found to be a minimum for the NO2He3+ trication, which is isoelectronic and isostructural with the previously studied NO2H2+. Dissociation of the Cs symmetry structure into NO+ and OHe2+ is thermodynamically preferred by 183.1 kcal/mol (1 cal = 4.18 J), although a kinetic barrier of 12.4 kcal/mol has to be overcome. The Cinfinityv symmetry structure was also found to be a minimum for the HeNO3+ trication.