Coriolis coupling and isotopic effects on the quantum dynamics of H($$^2$$S) + NaH(X$$^1\Sigma ^+$$) reaction

Stereodynamics-Controlled Product Branching in the Nonadiabatic H + NaD → Na(3s, 3p) + HD Reaction at Low Temperatures

“…The minimum energy path of the R reaction is very smooth, without a potential well or barrier, showing the highly “attractive” , feature of PES. The reactions with “attractive” PES, such as H + LiH − and H + NaH , reactions, are always dominated by the stripping reaction mechanism. The stripping reaction mechanism corresponds to the reaction with high J s or large impact parameters at higher collision energies, and the product molecules are mainly distributed at high rotational states and tend to forward scattering.…”

“…The NaH 2 system − has received a lot of attention as a special prototype for studying nonadiabatic mechanisms. There is a CI seam between the ground-state and first excited-state PESs, at which NaH 2 is in a C 2 v symmetry.…”

“…The asymptotic region of the ground-state PES corresponds to H + NaH and Na­(3s) + H 2 channels, and the asymptotic region of the excited-state PES corresponds to the Na­(3p) + H 2 channel. The reactive quenching [Na­(3p) + H 2 → H + NaH] and electronic quenching [Na­(3p) + H 2 → Na­(3s) + H 2 ] processes have been widely studied experimentally and theoretically. − There are several sets of DPEMs that have been constructed, , and dynamic studies have been performed for the nonadiabatic Na­(3p) + H 2 /HD reactions. , For its inverse reaction H + NaH → Na + H 2 , only dynamic studies under adiabatic approximation have reported. , Because sodium and lithium atoms have many similar properties, they are often compared in studies. Both H + LiH and H + NaH reactions are exothermic, and the products can be formed on the ground and excited electronic states.…”

“…41,42 For its inverse reaction H + NaH → Na + H 2 , only dynamic studies under adiabatic approximation have reported. 33,34 Because sodium and lithium atoms have many similar properties, they are often compared in studies. Both H + LiH and H + NaH reactions are exothermic, and the products can be formed on the ground and excited electronic states.…”

Dynamical and Mechanical Insights into the Li(2S)+ HCl() Reaction: A Detailed Quantum Wavepacket Study

“…The collisions of alkali metals (M) with hydrogen halides (HX) play a vital role in the early development of reaction dynamics in both theoretical and experimental study. [1][2][3][4][5][6] This type of reactions is known to be dominated by a harpoon mechanism: [7] an electron jump occurs from M to HX and forming an unstable HXanion which quickly dissociate (in femtosecond timescale) and produces the alkali halide (MX) molecule. These alkali hydrides (MX) play a crucial role in the interstellar chemistry, since its significance in the reservoir for heavy elements.…”