Ab initiopotentials ofF+Li2accessible at ultracold temperatures

Abstract

Ab initio calculations for the strongly exoergic Li 2 + F harpoon reaction are presented using density-functional theory, complete active space self-consistent field, and multireference configuration interaction methods to argue that this reaction would be an ideal candidate for investigation with ultracold molecules. The lowest six states are calculated with the aug-correlation-consistent polarized valence triple-zeta basis set and at least two can be accessed by a ground rovibronic Li 2 molecule with zero collision energy at all reaction geometries. The large reactive cross section (characteristic of harpoon reactions) and chemiluminescent products are additional attractive features of these reactions.

Ultracold fluorine production via Doppler cooled BeF

“…Trapped ultracold fluorine atoms could be used as a source of highly reactive atoms for nanolithography. Wright and Lane 4 have proposed studying the reaction of vibrationally excited ultracold Li 2 dimers with fluorine atoms and have suggested quantum state selection of the reaction products is possible by selecting the initial vibrational state. Unfortunately, the production of trapped, cold halogen atoms presents perhaps one of the stiffest challenges for ultracold science.…”