Science Advances

Supplementary Materials

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  • Fig. S1. Modified multigram synthesis of M1.
  • Fig. S2. 1H and 13C NMR of (1).
  • Fig. S3. 1H and 13C NMR of (2).
  • Fig. S4. 1H NMR (600 MHz, C2D2Cl4, 398 K) of the polymer.
  • Fig. S5. Solution and solid-state properties of the polymer.
  • Fig. S6. Stability studies of the polymer.
  • Fig. S7. Calculated data for the oligomers (n = 2 to 8) at the UB3LYP/6-31G** level of theory.
  • Fig. S8. Optimized ground-state geometric structures for the trimer (n = 3) and pictorial representations of the frontier MOs and spin density distribution.
  • Fig. S9. Optimized ground-state geometric structures for the tetramer (n = 4) and pictorial representations of the frontier MOs and spin density distribution.
  • Fig. S10. Optimized ground-state geometric structures for the hexamer (n = 6) and pictorial representations of the frontier MOs and spin density distribution.
  • Fig. S11. Bond length plots of the dimer (n = 2) singlet (orange) and triplet (blue) states.
  • Fig. S12. Bond length plots of the trimer (n = 3) singlet (orange) and triplet (blue) states.
  • Fig. S13. Bond length plots of the tetramer (n = 4) singlet (orange) and triplet (blue) states.
  • Fig. S14. Bond length plots of the hexamer (n = 6) singlet (orange) and triplet (blue) states.
  • Fig. S15. Bond length plots of the octamer (n = 8) singlet (orange) and triplet (blue) states.
  • Fig. S16. Chemical structures of polymers with various substitution patterns and calculated diradical character index (y) for the tetramers (n = 4).
  • Table S1. Inductively coupled plasma optical emission spectroscopy and x-ray photoelectron spectroscopy trace metal analysis.
  • Table S2. Selected electronic properties of oligomers as a function of the number of repeat units.
  • Table S3. Tabulated bond lengths for the octamer (n = 8).
  • Table S4. Tabulated bond lengths for the auxiliary rings of the octamer (n = 8).
  • Table S5. Tabulated NICS values of the dimer (n = 2).
  • Table S6. Tabulated NICS values of the trimer (n = 3).
  • Table S7. Tabulated NICS values of the tetramer (n = 4).
  • Table S8. Tabulated NICS values of the hexamer (n = 6).
  • Table S9. Tabulated NICS values of the octamer (n = 8).

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