Quantum dynamics of HÂ +Â LiH+ reaction on its electronic ground state

State specific dynamics of the H + LiH+ reaction is theoretically investigated on its electronic ground potential energy surface employing a time-dependent wave packet approach. Channel specific integral reaction cross-sections and thermal rate constants are reported. Impact of the low-energy collision-induced dissociation channel on the reactive dynamics is discussed.

Graphical abstractRate of LiH+ depletion through collisions with H atom of relevance to astrophysics. The insert shows the highly exoergic minimum energy path for the depletion reaction.Download high-res image (58KB)Download full-size imageResearch Highlights► Quantum dynamics of astrophysically important H + HLi+ reaction is studied. ► Integral reaction cross sections and thermal rate constants are reported. ► The LiH+ depletion rate is higher than the H-exchange rate. ► The sole reactivity is governed by the LiH+ depletion channel at higher J value.