Author/Authors :
Rodriguez، نويسنده , , Aurelio and Garcia، نويسنده , , Ernesto and Luz Hernandez، نويسنده , , Shane M. and Laganà، نويسنده , , Antonio، نويسنده ,
Abstract :
Measured product vibrational distributions of the OH+HCl→H2O+Cl and OD+HCl→HOD+Cl reactions show a marked isotopic effect since the HOD product is vibrationally excited while the H2O one is not. Quasiclassical trajectories calculated on a new largest angle generalization of the rotating bond order (LAGROBO) potential energy surface offer a rationale for such an effect in addition to reproducing the measured temperature dependence of the thermal rate coefficient.