Enhancement of London Dispersion in Frustrated Lewis Pairs: Towards a Crystalline Encounter Complex

Abstract The encounter complex, i.e., the pre-organized assembly consisting of a Lewis acid and base, is fundamental concept in frustrated pair (FLP) chemistry. However, this donor–acceptor complex challenging to study due its transient nature. Here, we present combined theoretical experimental investigation on potential isolation an enabled by enhancement London dispersion forces between sterically encumbered base pair. Guided computational analyses, FLP originating from bulky triarylamine N(3,5-tBu2C6H3)3 novel triarylborane B(3,5-tBu2C6H3)3 was investigated, leading 1:1 co-crystal both components.