Fig. 4: Quantum chemical calculations.
Sr-based model systems to investigate the difference between the formation of a cyclic and chain-type structure. H atoms and iPr groups are omitted for clarity. Sr is drawn in green, Si in beige, C in grey. Given energies (in kJ mol−1) refer to single-point calculations at the PBE0/def2-TZVP/D4 level of theory for structures optimized at the PBE/SV(P)/D4 level. Further details and computational settings are given within the Supplementary Information.
