STUDY USING TRAJECTORIES CUASICLÁSICAS REACTIONS TRIATÓMICAS POTENTIAL CHEMICAL LASERS AND RELATED SYSTEMSAuthor:
FRANCIA VERDE RAFAEL.
Year:
2004.
University:
LA RIOJA [
www.unirioja.es].
Place of defense: UNIVERSIDAD DE LA RIOJA.
Place of preparation: UNIVERSIDAD DE LA RIOJA.
Summary: Seven were studied reactions triatómicas using the method of trajectories cuasiclásicas (QCT) on potential energy surfaces constructed from data ab initio in our research group. They are used one or two potential energy surfaces, as appropriate. In each of the reactions have been analyzed a comprehensive set of scalar and vector properties that have established a complete dynamics of the reactions and to compare the results with experimental and theoretical data available. We have studied the influence on the reactivity of the translational energy of the reactants and temperature vibrorrotacional initial reagent molecules. We analyze the possibility of reactions produce vibrational investment in the product and molecules that can be used as chemical lasers. The reactions studied are: a) H + Cl2 --> Cl HCl + b) + H ClF --> HCl + F c) H + ClF --> HF + Cl d) O + CS - -> P + S e) N + O2 --> NO + O f) Cl + HCl --> Cl HCl + g) F + HCl --> HF + Cl.
