Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.

@article{Ohkawara2014FacileEO,
  title={Facile estimation of catalytic activity and selectivities in copolymerization of propylene oxide with carbon dioxide mediated by metal complexes with planar tetradentate ligand.},
  author={Takahiro Ohkawara and Kohei Suzuki and Koji Nakano and Seiji Mori and Kyoko Nozaki},
  journal={Journal of the American Chemical Society},
  year={2014},
  volume={136 30},
  pages={10728-35}
}
Mechanistic studies were conducted to estimate (1) catalytic activity for PPC, (2) PPC/CPC selectivity, and (3) PPC/PPO selectivity for the metal-catalyzed copolymerization of propylene oxide with carbon dioxide [PPC: poly(propylene carbonate); CPC = cyclic propylene carbonate; PPO: poly(propylene oxide)]. Density functional theory (DFT) studies demonstrated that the ΔG(crb) - ΔG(epx) value should be an effective indicator for the catalytic activities [ΔG(epx): dissociation energy of ethylene… CONTINUE READING
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