Extended Data Fig. 6: EFEI calculated barriers for model junctions in aqueous contexts.
From: Tetrafunctional cyclobutanes tune toughness via network strand continuity
a) Barriers for all pathways in CB-C1 models. b) Barriers for relevant pathways in CB-C2 models. The cis 1,2 orientation has the lowest barrier to [2 + 2] cycloelimination, and the 1,3 orientation has the lowest barrier to C–O heterolysis, thus behaviour is qualitatively similar to PC gels. c) Barriers for all pathways in CB-C1 models. d) Barrier to C–C homolysis in the control model. In a)–c), darker lines denote [2 + 2] cycloelimination pathways; lighter lines denote C–O heterolysis.
