Polymer Chemistry · 2012 · 203 citations · 55 references
Natural SciencesChemical EngineeringChemistryCatalysisOrganic ChemistryPolymer ChemistryOrganic SynthesisPolymer ProductionPolymer RecyclingPolymer SynthesisPolymerization ChemistryPolymerization ProcessesAdvanced RecyclingChemical RecyclingChemical Recycling Of PolymersDepolymerizationHigh PerformanceHydrogen BondingOrganocatalysisPolyethylene Terephthalate
We report the effective organocatalysis of the aminolytic depolymerization of waste poly(ethylene terephthalate) (PET) using 1,5,7-triazabicyclo[4.4.0]dec-5-ene (TBD) producing a broad range of crystalline terephthalamides. This diverse set of monomers possesses great potential as building blocks for high performance materials with desirable thermal and mechanical properties deriving from the terephthalic moiety and amide hydrogen bonding. Further, a computational study established mechanistic insight into self-catalyzed and organocatalyzed aminolysis of terephthalic esters, suggesting that the bifunctionality of TBD particularly concerning activation of the carbonyl group differentiates TBD from other organic bases.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
General atomic and molecular electronic structure system
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz et al. · Journal of Computational Chemistry · 1993 · 20.2K citations
Natural Sciences, Chemistry, Physics +17