The structure and energetics of singlet, closed-shell [B, C, F, H2]: Simplicity resulting in diversity

In the current paper, we discuss our high level quantum chemical results for the structure and energetics of singlet (closed-shell) isomers corresponding to the stoichiometry of one boron, carbon, and fluorine apiece, and two hydrogens. While the ketene- and diazomethane-like H2CBF plausibly emerges as the most stable isomer, a variety of novel structural features emerge for the assembled energy minima. All of these species are compared as well as transition states that connect them. Comparison is also made with corresponding forms of the aforementioned ketene and diazomethane to which our species are isoelectronic, as well as with our earlier studied [B, C, F, H3]+ which may be recognized as the protonated counterparts of the species of direct interest in this study.