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Jarvis, Emily A.A., Lee, Brian, Neddenriep, Bradley, Shoemaker, Wendy (2013) Computational comparison of stepwise oxidation and O–O bond formation in mononuclear ruthenium water oxidation catalysts. Chemical Physics, 417. 8-16 doi:10.1016/j.chemphys.2013.03.007

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Reference TypeJournal (article/letter/editorial)
TitleComputational comparison of stepwise oxidation and O–O bond formation in mononuclear ruthenium water oxidation catalysts
JournalChemical Physics
AuthorsJarvis, Emily A.A.Author
Lee, BrianAuthor
Neddenriep, BradleyAuthor
Shoemaker, WendyAuthor
Year2013 (May)Volume417
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2013.03.007Search in ResearchGate
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Mindat Ref. ID5963338Long-form Identifiermindat:1:5:5963338:7
GUID0
Full ReferenceJarvis, Emily A.A., Lee, Brian, Neddenriep, Bradley, Shoemaker, Wendy (2013) Computational comparison of stepwise oxidation and O–O bond formation in mononuclear ruthenium water oxidation catalysts. Chemical Physics, 417. 8-16 doi:10.1016/j.chemphys.2013.03.007
Plain TextJarvis, Emily A.A., Lee, Brian, Neddenriep, Bradley, Shoemaker, Wendy (2013) Computational comparison of stepwise oxidation and O–O bond formation in mononuclear ruthenium water oxidation catalysts. Chemical Physics, 417. 8-16 doi:10.1016/j.chemphys.2013.03.007
In(n.d.) Chemical Physics Vol. 417. Elsevier BV

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Shaffer, David W., Xie, Yan, Concepcion, Javier J. (2017) O–O bond formation in ruthenium-catalyzed water oxidation: single-site nucleophilic attack vs. O–O radical coupling. Chemical Society Reviews, 46. 6170-6193 doi:10.1039/c7cs00542c
Crandell, Douglas W., Xu, Song, Smith, Jeremy M., Baik, Mu-Hyun (2017) Intramolecular Oxyl Radical Coupling Promotes O–O Bond Formation in a Homogeneous Mononuclear Mn-based Water Oxidation Catalyst: A Computational Mechanistic Investigation. Inorganic Chemistry, 56 (8) 4435-4445 doi:10.1021/acs.inorgchem.6b03144
Kundu, Animesh, Dey, Suman Kr, Dey, Subhasis, Anoop, Anakuthil, Mandal, Sukanta (2020) Mononuclear Ruthenium-Based Water Oxidation Catalyst Supported by Anionic, Redox-Non-Innocent Ligand: Heterometallic O–O Bond Formation via Radical Coupling Pathway. Inorganic Chemistry, 59 (2) 1461-1470 doi:10.1021/acs.inorgchem.9b03258
Bianco, Roberto, Hay, P. Jeffrey, Hynes, James T. (2012) Proton relay and electron flow in the O–O single bond formation in water oxidation by the ruthenium blue dimer. Energy & Environmental Science, 5 (7). 7741pp. doi:10.1039/c2ee21523c
Muckerman, James T., Polyansky, Dmitry E., Wada, Tohru, Tanaka, Koji, Fujita, Etsuko (2008) Water Oxidation by a Ruthenium Complex with Noninnocent Quinone Ligands: Possible Formation of an O−O Bond at a Low Oxidation State of the Metal. Inorganic Chemistry, 47 (6) 1787-1802 doi:10.1021/ic701892v
Maji, Somnath, Vigara, Laura, Cottone, Francesca, Bozoglian, Fernando, Benet-Buchholz, Jordi, Llobet, Antoni (2012) Ligand Geometry Directs OO Bond-Formation Pathway in Ruthenium-Based Water Oxidation Catalyst. Angewandte Chemie, 124 (24). 6069-6072 doi:10.1002/ange.201201356
Bianco, Roberto, Hay, P. Jeffrey, Hynes, James T. (2011) Theoretical Study of O–O Single Bond Formation in the Oxidation of Water by the Ruthenium Blue Dimer. The Journal of Physical Chemistry A, 115 (27). 8003-8016 doi:10.1021/jp200309d
Govindarajan, Nitish, Tiwari, Ambuj, Ensing, Bernd, Meijer, Evert Jan (2018) Impact of the Ligand Flexibility and Solvent on the O–O Bond Formation Step in a Highly Active Ruthenium Water Oxidation Catalyst. Inorganic Chemistry, 57 (21) 13063-13066 doi:10.1021/acs.inorgchem.8b00619
Maji, Somnath, López, Isidoro, Bozoglian, Fernando, Benet-Buchholz, J., Llobet, Antoni (2013) Mononuclear Ruthenium–Water Oxidation Catalysts: Discerning between Electronic and Hydrogen-Bonding Effects. Inorganic Chemistry, 52 (7) 3591-3593 doi:10.1021/ic3028176
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