4.7 Article

Kinetics and DFT studies on water oxidation by Ce4+ catalyzed by [Ru(terpy)(bpy)(OH2)](2+)

Journal

CHEMICAL COMMUNICATIONS
Volume 48, Issue 2, Pages 239-241

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cc15109f

Keywords

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Funding

  1. PRESTO, Japan Science and Technology Agency (JST)
  2. Ministry of Education, Culture, Sports, Science, and Technology of Japan [21750065, 17205008]
  3. Grants-in-Aid for Scientific Research [22108527] Funding Source: KAKEN

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The Ru-V=O species and other intermediates in O-2 evolution from water catalyzed by [Ru(terpy)(bpy)(OH2)](2+) were spectrophotometrically characterized, and the spectral components observed were identified based on the TD-DFT calculations. Moreover, important insights into the rapid paths after the RDS were given by the DFT studies.

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