Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features

scientific article published on 15 February 2011

Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/C0DT01085E
P698PubMed publication ID21327240
P5875ResearchGate publication ID49841846

P50authorWei GuanQ41780132
P2093author name stringZhong-Min Su
Li-Kai Yan
Chun-Guang Liu
P2860cites workComputer-generated high-valent iron--oxo and manganese--oxo species with polyoxometalate ligands: how do they compare with the iron--oxo active species of heme enzymes?Q51986089
Polyoxometalate Chemistry: An Old Field with New Dimensions in Several DisciplinesQ55878699
Carbodiphosphoranes: The Chemistry of Divalent Carbon(0)Q56610296
Structural, Spectroscopic, and Computational Study of an Octahedral, Non-Heme {Fe−NO}6-8Series: [Fe(NO)(cyclam-ac)]2+/+/0Q57900108
Photochemical Reduction of Carbon Dioxide Catalyzed by a Ruthenium-Substituted PolyoxometalateQ58738561
Density-functional exchange-energy approximation with correct asymptotic behaviorQ21709057
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysisQ26778386
Density-functional approximation for the correlation energy of the inhomogeneous electron gasQ27440259
Catalysis by Heteropoly Acids and Multicomponent Polyoxometalates in Liquid-Phase ReactionsQ28202173
COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientQ29011962
Characterization of manganese(V)-oxo polyoxometalate intermediates and their properties in oxygen-transfer reactionsQ31080889
Nature of the Fe-O2 bonding in oxy-myoglobin: effect of the proteinQ34850317
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes.Q36154637
Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: a tale of many statesQ36815037
Activation of nitrous oxide and selective epoxidation of alkenes catalyzed by the manganese-substituted polyoxometalate, [Mn(III)2ZnW(Zn2W9O34)2]10-.Q44076600
Direct hydrogen-atom abstraction by activated bleomycin: an experimental and computational studyQ44469471
Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complexQ46192601
The high-valent iron-oxo species of polyoxometalate, if it can be made, will be a highly potent catalyst for C-H hydroxylation and double-bond epoxidationQ46848952
Dioxygen and water activation processes on multi-Ru-substituted polyoxometalates: comparison with the "blue-dimer" water oxidation catalyst.Q50453188
P433issue12
P407language of work or nameEnglishQ1860
P304page(s)2967-2974
P577publication date2011-02-15
P1433published inDalton TransactionsQ282900
P1476titleQuantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features
P478volume40

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cites work (P2860)
Q38222647Computational electrochemistry: prediction of liquid-phase reduction potentials.
Q44456627DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates
Q46672329Redox chemistry of ruthenium ions in mono-substituted Keggin tungstophosphate: a new synthetic extension for ruthenium derivatives based on [PW11O39Ru(VI)N](4.).
Q38033992Structure, properties and reactivity of polyoxometalates: a theoretical perspective
Q45407785Synthesis and properties of a novel quarternerized imidazolium [α-PW12O40]3- salt as a recoverable photo-polymerization catalyst

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