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Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks

(2019) JOURNAL OF MATERIALS CHEMISTRY A. 7(14). p.8433-8442
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Abstract
Ru(II) polypyridyl complexes have been successful for a wide range of photoredox applications thanks to their efficient light-induced metal-to-ligand charge transfer. Using the computational framework of density-functional theory, we report how these complexes can be anchored onto covalent triazine frameworks while maintaining their favorable electronic properties. We moreover show that variation of the nitrogen content of the framework linkers or complex ligands endows the heterogenized catalyst with a unique versatility, spanning a wide range of absorption characteristics and redox potentials. By judiciously choosing the catalyst building blocks, it is even possible to selectively guide the charge transfer toward either the scaffold or the accessible pore sites. Rational design of sustainable and efficient photocatalysts thus comes within reach.
Keywords
METAL-ORGANIC FRAMEWORKS, PHOTOCATALYTIC HYDROGEN EVOLUTION, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, DRIVEN WATER OXIDATION, EFFICIENT, CATALYSIS, PHOTOSENSITIZER, TEMPERATURE, TRANSITION

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Citation

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Chicago
De Vos, Arthur, Kurt Lejaeghere, Francesco Muniz Miranda, Christian Stevens, Pascal Van Der Voort, and Veronique Van Speybroeck. 2019. “Electronic Properties of Heterogenized Ru(II) Polypyridyl Photoredox Complexes on Covalent Triazine Frameworks.” Journal of Materials Chemistry A 7 (14): 8433–8442.
APA
De Vos, Arthur, Lejaeghere, K., Muniz Miranda, F., Stevens, C., Van Der Voort, P., & Van Speybroeck, V. (2019). Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks. JOURNAL OF MATERIALS CHEMISTRY A, 7(14), 8433–8442.
Vancouver
1.
De Vos A, Lejaeghere K, Muniz Miranda F, Stevens C, Van Der Voort P, Van Speybroeck V. Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks. JOURNAL OF MATERIALS CHEMISTRY A. 2019;7(14):8433–42.
MLA
De Vos, Arthur et al. “Electronic Properties of Heterogenized Ru(II) Polypyridyl Photoredox Complexes on Covalent Triazine Frameworks.” JOURNAL OF MATERIALS CHEMISTRY A 7.14 (2019): 8433–8442. Print.
@article{8613124,
  abstract     = {Ru(II) polypyridyl complexes have been successful for a wide range of photoredox applications thanks to their efficient light-induced metal-to-ligand charge transfer. Using the computational framework of density-functional theory, we report how these complexes can be anchored onto covalent triazine frameworks while maintaining their favorable electronic properties. We moreover show that variation of the nitrogen content of the framework linkers or complex ligands endows the heterogenized catalyst with a unique versatility, spanning a wide range of absorption characteristics and redox potentials. By judiciously choosing the catalyst building blocks, it is even possible to selectively guide the charge transfer toward either the scaffold or the accessible pore sites. Rational design of sustainable and efficient photocatalysts thus comes within reach.},
  author       = {De Vos, Arthur and Lejaeghere, Kurt and Muniz Miranda, Francesco and Stevens, Christian and Van Der Voort, Pascal and Van Speybroeck, Veronique},
  issn         = {2050-7488},
  journal      = {JOURNAL OF MATERIALS CHEMISTRY A},
  language     = {eng},
  number       = {14},
  pages        = {8433--8442},
  title        = {Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks},
  url          = {http://dx.doi.org/10.1039/c9ta00573k},
  volume       = {7},
  year         = {2019},
}

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