Quantum chemical calculations for a better understanding of the mechanism of CH3(+) + H2 radiative association

Details Quantum chemical calculations for a better understanding of the mechanism of CH3(+) + H2 radiative association Quantum chemical calculations for a better understanding of the mechanism of CH3(+) + H2 radiative association

Aug 1992

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992a%26a...261..671t&link_type=abstract

Astronomy and Astrophysics (ISSN 0004-6361), vol. 261, no. 2, p. 671-676.

Astronomy and Astrophysics

Astrophysics

6

Hydrogen, Interstellar Matter, Methyl Compounds, Quantum Chemistry, Electron States, Molecular Excitation, Rydberg Series

Scientific paper

A hypothesis of an excited state of CH5(+) lying below the CH3(+) + H2 dissociation limit is evaluated. It is concluded that no stable low-lying excited state of CH5(+) has been located. These excited states are shown to be very high in energy and do not correlate to the charge transfer system (CH3, H2(+)) and (CH4, H(+)) but to excited (CH3(+) - H2) and (CH4(+) - H2) limits.

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