REACTIONS OF STRONGLY POLAR IONS WITH MOLECULES
A theoretical study is reported on the effect of various long-range terms in the potential energy surface on the rate constants for the reactions of strongly polar ArH3+ with H2O and NH3. A rotationally adiabatic capture theory is used. It is found that dipole-dipole, dipole-induced dipole and dispe...
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| Format: | Journal article |
| Language: | English |
| Published: |
1995
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| Summary: | A theoretical study is reported on the effect of various long-range terms in the potential energy surface on the rate constants for the reactions of strongly polar ArH3+ with H2O and NH3. A rotationally adiabatic capture theory is used. It is found that dipole-dipole, dipole-induced dipole and dispersion terms produce a small enhancement (about 18%) of the rate constant calculated with only the ion-dipole and ion-induced dipoles terms in the potential energy surface. The calculated rate constants agree very well with experiment. © 1995. |
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