Speakers
Description
One of the most relevant parameters to create a dense, cold, and stable ensemble of molecules is to create them in a controllable manner. In most of cases, molecules XY that will be further cooled down appear as a product of a reaction between an ablated metal, X, in a given atmosphere enriched with a Y-donor gas, AY$_n$ , i.e., AY$_n$ +X→XY + AY$_{n-1}$ . However, the impact of the Y-donor gas has not been studied. This work presents a theoretical study based on molecular dynamics simulations on the reactions involving Al and Ca with fluorine-donor gases such as NF$_3$, SF$_6$.
In particular, we identify all the reaction products, and we are able to specify a branching ratio. As a result, we predict that NF$_3$ is a more efficient fluorine-donor gas than SF$_6$ to create an intense and slow beam of molecules. To rationalize the results, a Bayesian reaction network has been constructed based on the ab initio molecular dynamics trajectories.
| Abstract Number (department-wise) | MP 11 |
|---|---|
| Department | MP (Meijer) |
