Quantum Theory of D +H2Rearrangement Collision: Effects of Vibrational Excitation

A quantum mechanical approach is used to calculate the cross sections and rate constants of $\mathrm{D}+{\mathrm{H}}_2(v_{\alpha }=1, 0)\to \mathrm{DH}(v_{\beta }=0, 1)+\mathrm{H}$. With $v_{\alpha }=0\mathrm{}$, present results are in agreement with classical calculation. With $v_{\alpha }=1\mathrm{}$, cross sections for the vibrational adiabatic transition ($v_{\alpha }=1\mathrm{}$ to $v_{\beta }=1\mathrm{}$) is an order of magnitude larger than that for the vibrational non-adiabatic transition ($v_{\alpha }=1\mathrm{}$ to $v_{\beta }=0\mathrm{}$). This result is in agreement with recent experiments but in disagreement with classical-trajectory calculations.