Helionitronium trication (NO2He3+) and helionitrosonium trication (HeNO3+)
AUTOR(ES)
Olah, George A.
FONTE
The National Academy of Sciences
RESUMO
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 C∞v symmetry structure was also found to be a minimum for the HeNO3+ trication.
ACESSO AO ARTIGO
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=22320Documentos Relacionados
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