Ricerc@Sapienza

A combined experimental−theoretical study is performed to advance our understanding of the dynamics of the prototypical tetra-atom, complex-forming reaction OH + CO → H + CO 2, which is also of great practical relevance in combustion, Earth’s atmosphere, and, potentially, Mars’s atmosphere and interstellar chemistry. New crossed molecular beam experiments with mass spectrometric detection are analyzed together with the results from previous experiments and compared with quasi-classical trajectory (QCT) calculations on a new, fulldimensional potential energy surface (PES).

Information on the detailed mechanism and dynamics (primary products, branching fractions (BFs), and channel specific rate constants as a function of temperature) for many important combustion reactions of O(3P) with unsaturated hydrocarbons is still lacking.

Gas phase ion chemistry has fundamental and applicative purposes since it allows the study of the chemical processes in a solvent free environment and represents models for reactions occurring in the space at low and high temperatures. In this work the ion-molecule reaction of sulfur dioxide ion SO.+2 with carbon monoxide CO is investigated in a joint experimental and theoretical study.