Calculations are presented for H-3(+) using two potential energy surfaces, one ab initio, the other spectroscopically determined, both of which include allowance for the adiabatic correction to the Born-Oppenheimer potential. Systematically labeled energy levels for H-+(3) are presented and the spectra calculated for a number of temperatures. Assignments are given for 105 or about 85% of the published unassigned H-3(+) infrared transitions. Forty previously assigned transitions are relabeled or reassigned. Calculations for higher J levels are discussed. (C) 1997 Academic Press, Inc.
New assignments for the infrared spectrum H-3(+)
1997
Abstract
Calculations are presented for H-3(+) using two potential energy surfaces, one ab initio, the other spectroscopically determined, both of which include allowance for the adiabatic correction to the Born-Oppenheimer potential. Systematically labeled energy levels for H-+(3) are presented and the spectra calculated for a number of temperatures. Assignments are given for 105 or about 85% of the published unassigned H-3(+) infrared transitions. Forty previously assigned transitions are relabeled or reassigned. Calculations for higher J levels are discussed. (C) 1997 Academic Press, Inc.File in questo prodotto:
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