Isolobal analogy between trivalent boron and divalent silicon

Abstract

Singlet organosilylenes with a lone pair and an emptyp orbital are isolobal to trivalent borane if a B-H is equated to the lone pair on Si. Using this analogy, a particular isomer of CSi₂H₂ (2̲4̲) is predicted to be a stable structure. MNDO calculations on 2̲4̲ and many of its possible isomers suggest that 2̲4̲ is at global minimum on the potential energy surface of CSi₂H₂. Ab initio calculations using a, minimal STO-3G basis set, on some selected structures also support these results.