Journal of Physical Chemistry, Vol.98, No.3, 768-770, 1994
Ab-Initio Study of Argon-Nitrogen Positive Clusters
Ab initio calculations up to the MP(3) level of theory were performed for the Ar2N2+ and ArN4+ species. Both clusters are predicted to be linear. The ArN4+ complex features as its most stable conformation the conformation in which an argon is positioned between two nitrogen molecules, and the Ar2N2+ complex’s most stable structure is the one in which the two argon atoms are bound to each other, and the nitrogen entity is bound to one of them.