Dissociative recombination of H(3)(+) in the ground and excited vibrational states
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Updated: Jul 11, 2026

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
Published on: July 27, 2022
Samantha Fonseca dos Santos1, Viatcheslav Kokoouline, Chris H Greene
1Department of Physics, University of Central Florida, Orlando, Florida 32816, USA.
Abstract:
The article presents calculated dissociative recombination (DR) rate coefficients for H(3) (+). The previous theoretical work on H(3) (+) was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states and it considered just a limited number of ionic rotational states. In this study, we use accurate vibrational wave functions and a larger number of possible rotational states of the H(3) (+) ground vibrational level. The DR rate coefficient obtained is found to agree better with the experimental data from storage ring experiments than the previous theoretical calculation. We present evidence that excited rotational states could be playing an important role in those experiments for collision energies above 10 meV. The DR rate coefficients calculated separately for ortho- and para-H(3) (+) are predicted to differ significantly at low energy, a result consistent with a recent experiment. We also present DR rate coefficients for vibrationally excited initial states of H(3) (+), which are found to be somewhat larger than the rate coefficient for the ground vibrational level.
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