Paper detail

Chemical pathways in ultracold reactions of SrF molecules

We present a theoretical investigation of the chemical reaction SrF + SrF $\rightarrow$ products, focusing on reactions at ultralow temperatures. We find that bond swapping, SrF + SrF $\rightarrow$ Sr$_2$ + F$_2$, is energetically forbidden at these temperatures. Rather, the only energetically allowed reaction is SrF + SrF $\rightarrow$ SrF$_2$ + Sr, and even then only singlet states of the SrF$_2$ trimer can form. A calculation along a reduced reaction path demonstrates that this abstraction reaction is barrierless, and proceeds by one SrF molecule "handing off" a fluorine atom to the other molecule.