Stable Doubly Charged Positive Molecular Ions Formed by Direct Attachment of Alpha Particles to HCN and HNC

Details Stable Doubly Charged Positive Molecular Ions Formed by Direct Attachment of Alpha Particles to HCN and HNC Stable Doubly Charged Positive Molecular Ions Formed by Direct Attachment of Alpha Particles to HCN and HNC

Mar 2004

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2004phrvl..92m3001p&link_type=abstract

Physical Review Letters, vol. 92, Issue 13, id. 133001

Physics

3

Ab Initio Calculations, Heliopause And Solar Wind Termination

Scientific paper

The existence of [HeNCH]2+ and [HeCNH]2+ is examined by reliable high-level ab initio methods. It is shown that both species are metastable with respect to the proton loss process, but the activation barriers are high enough to accommodate several resonant states. Their estimated lifetimes are practically infinite for v<3, implying that the attachment of alpha particles to HNC and HCN yields kinetically stable dications. This could be an important factor in the cyanide chemistry in interstellar and comet environments.

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