Science Advances

Supplementary Materials

This PDF file includes:

  • Supplementary Materials and Methods
  • fig. S1. Fineman-Ross plot for the copolymerization of ethylene and monomer 1i with Sc-5/[Ph3C][B(C6F5)4] at 20°C.
  • fig. S2. Sulfur and vinyl coordination complexes and their relative free energies (in kilocalories per mole).
  • fig. S3. Chain initiation and chain propagation processes of the polymerization of 1i with relative free energies (in kilocalories per mole) shown under the structures.
  • fig. S4. Coordination site analysis for the incoming monomer.
  • fig. S5. Schematic representations of the transition states showing steric hindrance influences.
  • table S1. Homopolymerization of oxygen-containing α-olefin 1b by different rare-earth catalysts.
  • table S2. Homopolymerization of sulfur-containing α-olefin 1i by different rare-earth catalysts.
  • table S3. Data for Fineman-Ross plot.
  • table S4. Energy decomposition analyses of transition states (energy in kilocalories per mole).
  • table S5. Gas-phase zero-point correction [ΔΔEgas (in atomic units)] and gas-phase thermal correction to enthalpy [ΔΔHgas (in atomic units)] and to Gibbs free energy [ΔΔGgas (in atomic units)], single-point energy [Esp (in atomic units)] in solution, and relative free energy [ΔG (in kilocalories per mole)].
  • References (3561)

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