Dynamics of Alkali Ions-Neutral Molecules Reactions: Radio Frequency-Guided Beam Experimental Cross-Sections and Direct Quasiclassical Trajectory Studies

摘要

Different reactive processes taking place in collisions between alkali ions and neutral i-C_3H_7Cl molecules in the low (center of mass frame) energy range have been studied using an octopole radiofrequency guided-ion-beam apparatus developed in our laboratory. Cross-section energy dependences for all these reactions have been obtained in absolute units. Ab initio electronic structure calculations for those colliding systems evolving on the ground single potential surface have given relevant information on the main topological features of the surfaces. For some of the reactions a dynamic study by "on the fly" trajectories has complemented the available experimental and electronic structure information.