Chemical pathways in ultracold reactions of SrF molecules
Abstract
We present a theoretical investigation of the chemical reaction SrF + SrF → products, focusing on reactions at ultralow temperatures. We find that bond swapping, SrF + SrF → Sr2 + F2, is energetically forbidden at these temperatures. Rather, the only energetically allowed reaction is SrF + SrF → SrF2 + Sr, and even then only singlet states of the SrF2 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.
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