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Reactions of strongly polar ions with molecules

✍ Scribed by David C. Clary

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 366 KB
Volume: 232
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)01349-z

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✦ Synopsis

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 ArH~-with H20 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 dipole terms in the potential energy surface. The calculated rate constants agree very well with experiment.

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