The effect of the symmetric and asymmetric stretching vibrations on the CH3D+O(3P) => CH3+OH reaction

JULIANA PALMA; JULIÁN ECHAVE; DAVID C. CLARY

CHEMICAL PHYSICS LETTERS

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2002 vol. 363 p. 529 - 533

0009-2614

We report calculations on the CH3D þ Oð3PÞ ! CH3 þ OD reaction using a reduced dimensionality model withfour degrees of freedom. The model has already been used to evaluate the effect of the symmetric and asymmetricstretching vibrations of methane on the CH4 þ Oð3PÞ and CH4 þ H reactions. Unfortunately, it is not easy to establisha direct comparison between these previous calculations and experimental results. As the difficulties disappear whenCH4 is replaced with CH3D we decided to try our model on the title reaction. The results of these new calculations arepresented in this Letter.