The Inverted Bond in l.l.lPropellane is a Charge-Shift Bond

摘要

The most intriguing feature of the family of small-ring propellanes is the nature of the central bond that connects the two inverted bridgehead carbons.The properties of the smallest member of the family, l.l.lpropellane 1, have been predicted by an early ab initio study, long before the successful synthesis by Wiberg and Walker.This molecule has subsequently attracted considerable theoretical interest, and its"inverted bond"has remained, by and large, a mystery.