Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Ion-pairing in polyoxometalate chemistry: impact of fully hydrated alkali metal cations on properties of the keggin [PW 12 O 40 ] 3- anion

Journal Article · · Dalton Transactions
DOI:https://doi.org/10.1039/d0dt02239j· OSTI ID:1800432
 [1];  [2];  [2];  [2];  [3]
  1. Cherry L. Emerson Center for Scientific Computation; Emory University; Atlanta; USA; OSTI
  2. Department of Chemistry; Emory University; Atlanta; USA
  3. Cherry L. Emerson Center for Scientific Computation; Emory University; Atlanta; USA; Department of Chemistry
+ Show Author Affiliations
The [PW12O40]3-[M+(H2O)16]3is a “hydrogen bonded” ion-pair complex for M = Li, Na and K, but is a “contact” ion-pair complex for M = Rb and Cs, intermolecular charge transfer from the solvated counter cations M+(H2O)16to the anion [PW12O40]3-.
Research Organization:
Emory Univ., Atlanta, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
FG02-07ER15906
OSTI ID:
1800432
Journal Information:
Dalton Transactions, Journal Name: Dalton Transactions Journal Issue: 32 Vol. 49; ISSN 1477-9226; ISSN ICHBD9
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

References (39)

Role of Cation Size in the Energy of Electron Transfer to 1:1 Polyoxometalate Ion Pairs {(M + )(X n + VW 11 O 40 )} (8- n )- (M = Li, Na, K) journal April 2000
Formation of Alkali Metal/Alkaline Earth Cation Water Clusters, M(H 2 O) 1 - 6 , M = Li + , Na + , K + , Mg 2+ , and Ca 2+ : An Effective Fragment Potential (EFP) Case Study journal January 2003
Electron exchange reactions between heteropoly anions: comparison of experimental rate constants with theoretically predicted values journal October 1990
Homogeneous versus Heterogeneous Self-Exchange Electron Transfer Reactions of Metal Complexes:  Insights from Pressure Effects journal June 2005
Multiiron Polyoxoanions. Syntheses, Characterization, X-ray Crystal Structures, and Catalysis of H 2 O 2 -Based Hydrocarbon Oxidations by [Fe III 4 (H 2 O) 2 (P 2 W 15 O 56 ) 2 ] 12- journal September 1997
Electronic Properties of Polyoxometalates:  A DFT Study of α / β -[XM 12 O 40 ] n - Relative Stability (M = W, Mo and X a Main Group Element) journal October 2001
6-31G* basis set for third-row atoms journal January 2001
Nanoplasmonic Sensor Detects Preferential Binding of IRSp53 to Negative Membrane Curvature journal February 2019
Dodecatungstophosphoric acid hexahydrate, (H5O2+)3(PW12O403−). The true structure of Keggin's `pentahydrate' from single-crystal X-ray and neutron diffraction data journal April 1977
Heterogeneous Catalysis journal February 1998
Catalysis by Heteropoly Acids and Multicomponent Polyoxometalates in Liquid-Phase Reactions journal February 1998
Polyoxometalates in Medicine journal February 1998
Polyoxometalates: Building Blocks for Functional Nanoscale Systems journal March 2010
Osmotically Driven Crystal Morphogenesis: A General Approach to the Fabrication of Micrometer-Scale Tubular Architectures Based on Polyoxometalates journal April 2011
Polyoxometalates in Solution:  Molecular Dynamics Simulations on the α-PW 12 O 40 3- Keggin Anion in Aqueous Media journal February 2005
Ab Initio Study of M + :18-Crown-6 Microsolvation journal April 1997
Role of Alkali Metal Cation Size in the Energy and Rate of Electron Transfer to Solvent-Separated 1:1 [(M + )(Acceptor)] (M + = Li + , Na + , K + ) Ion Pairs journal June 2001
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions journal November 2006
Quantum Mechanical Continuum Solvation Models journal August 2005
Magnetic polyoxometalates: from molecular magnetism to molecular spintronics and quantum computing journal January 2012
Polyoxometalate Chemistry: An Old Field with New Dimensions in Several Disciplines journal January 1991
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory journal July 1996
Geometries and properties of excited states in the gas phase and in solution: Theory and application of a time-dependent density functional theory polarizable continuum model journal March 2006
Strong Medium and Counterion Effects upon the Redox Potential of the 12-Tungstocobaltate(III/II) Couple. journal January 1991
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg journal January 1985
Polyoxometalate water oxidation catalysts and the production of green fuel journal January 2012
New tungstophosphates: Cs6W5P2O23, Cs7W10PO36, and Cs7Na2W10PO37 journal April 1981
Electrochemistry and Homogeneous Self-Exchange Kinetics of the Aqueous 12-Tungstoaluminate(5−/6−) Couple journal November 2006
Reaction Mechanism of Nerve-Agent Hydrolysis with the Cs 8 Nb 6 O 19 Lindqvist Hexaniobate Catalyst journal July 2016
Electronic and Magnetic Properties of α -Keggin Anions:  A DFT Study of [XM 12 O 40 ] n - , (M = W, Mo; X = Al III , Si IV , P V , Fe III , Co II , Co III ) and [SiM 11 VO 40 ] m - (M = Mo and W) journal April 2001
Structure, properties and reactivity of polyoxometalates: a theoretical perspective journal January 2012
Beyond Charge Balance: Counter‐Cations in Polyoxometalate Chemistry journal January 2020
Cations in control: crystal engineering polyoxometalate clusters using cation directed self-assembly journal January 2010
Effects of Counterions in Heteropoly Electrolyte Chemistry. 1. Evaluations of Relative Interactions by NMR on Kozik Salts journal October 1998
Direct Observation of Contact Ion-Pair Formation in Aqueous Solution journal August 2009
Impact of ambient gases on the mechanism of [Cs 8 Nb 6 O 19 ]-promoted nerve-agent decomposition journal January 2018
NMR determination of rates of electron pair transfer through bridges to or between heteropoly complex centers. Enthalpy and entropy contributions to activation. Evaluation of equilibrium constant for the disproportionation reaction journal May 1987
Metal Oxide Chemistry in Solution: The Early Transition Metal Polyoxoanions journal May 1985
Inorganic Chemistry Goes Protein Size: A Mo368 Nano-Hedgehog Initiating Nanochemistry by Symmetry Breaking journal April 2002

Similar Records

Ion-pairing in polyoxometalate chemistry: impact of fully hydrated alkali metal cations on properties of the keggin [PW 12 O 40 ] 3− anion
Journal Article · Tue Aug 18 00:00:00 EDT 2020 · Dalton Transactions · OSTI ID:1644706
Green and facile synthesis of graphene nanosheets/K{sub 3}PW{sub 12}O{sub 40} nanocomposites with enhanced photocatalytic activities
Journal Article · Wed Jun 15 00:00:00 EDT 2016 · Materials Research Bulletin · OSTI ID:22581560
Reaction of PM/sub 11/TiO/sub 40//sup 5 -/ heteropoly anions with hydrogen peroxide
Journal Article · Fri Aug 01 00:00:00 EDT 1986 · Sov. J. Coordinat. Chem.; (United States) · OSTI ID:6157900

Related Subjects

Chemistry