Hydrogen substituted by helium(+): theoretical investigations on the structures and stabilities of He2O2+, He2N2+, and He2C2+
- 1 January 1986
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society, Chemical Communications
- No. 14,p. 1095-1096
- https://doi.org/10.1039/c39860001095
Abstract
Theoretical studies of the structures and stabilities of the title compounds with respect to their dissociation reactions are reported at the MP4(SDTQ)/6-311G(2df,2pd)/MP2/6-31G(d,p)+ zero point energy level of theory which shows that He2O2+(1A1) and He2C2+(3B1) exhibit short, strong bonds, while He2N2+(2B1) and He2C2+(1A1) are found to have comparatively long, weak bonds; He2C2+(1A1) is predicted to be stable towards dissociation, while the other three dicationic species are energetically unstable.Keywords
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