We have briefly described how reactive scattering studies by the CMB method can provide detailed information about the reaction dynamics of the chemically important oxygen and nitrogen atoms. By measuring the angular and velocity distributions of the reaction products, we have been able to identify the primary reaction products, characterize their dynamics of formation, learn about the disposal of angular momentum in the products and therefore about details of the mechanism at the molecular level. We have also explored what is the effect of electronic excitation of the atom on the reaction dynamics and what is the extent of ISC in O(3P) reactions. From all that we have learned about the features of the PESs governing the reactions. When these reactions involve a light species such as H2, modern quantum chemistry can provide from first principles accurate PESs and we can compare the experimental scattering quantities with those calculated on the PESs and test their reliability. The examples shown also witness some of the current capabilities of the CMB method. These experiments, together with the contribution from complementary investigations using pump-probe spectroscopic techniques and beam-laser methods and from improved theoretical calculations, will hopefully further deepen our understanding of O and N atom reaction dynamics in the coming years.
Reactive Scattering of Oxygen and Nitrogen Atoms
CASAVECCHIA, Piergiorgio;BALUCANI, Nadia;CARTECHINI, Laura;VOLPI, GIAN GUALBERTO
1999
Abstract
We have briefly described how reactive scattering studies by the CMB method can provide detailed information about the reaction dynamics of the chemically important oxygen and nitrogen atoms. By measuring the angular and velocity distributions of the reaction products, we have been able to identify the primary reaction products, characterize their dynamics of formation, learn about the disposal of angular momentum in the products and therefore about details of the mechanism at the molecular level. We have also explored what is the effect of electronic excitation of the atom on the reaction dynamics and what is the extent of ISC in O(3P) reactions. From all that we have learned about the features of the PESs governing the reactions. When these reactions involve a light species such as H2, modern quantum chemistry can provide from first principles accurate PESs and we can compare the experimental scattering quantities with those calculated on the PESs and test their reliability. The examples shown also witness some of the current capabilities of the CMB method. These experiments, together with the contribution from complementary investigations using pump-probe spectroscopic techniques and beam-laser methods and from improved theoretical calculations, will hopefully further deepen our understanding of O and N atom reaction dynamics in the coming years.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
