title: Cooperative effects in novel LiF∕HF⋯LiF⋯XF (X = F, Cl, Br) clusters.
abstract: Highly stable trimeric clusters of general formula LiF∕HF⋯LiF⋯XF (X = F, Cl, Br) are predicted computationally. These clusters involve a LiF⋯XF dyad, with both the positively charged Li and negatively charged F atom of LiF non-covalently bonded to the X atom of XF. A third molecule (LiF or HF) is complexed to this dyad via ionic-type F⋯Li and Li(H)⋯F interactions to form a substantially stronger cluster.
authors: Department of Biological and Chemical Sciences, The University of the West Indies, Cave Hill Campus, Barbados. sacm@mail.com
authors: Sean A C
authors: SA
authors: McDowell
authors: Jerelle A
authors: JA
authors: Joseph