Structure, properties and reactivity of polyoxometalates: a theoretical perspective
In the thematic review dedicated to polyoxometalate (POM) chemistry published in Chemical
Reviews in 1998, no contribution was devoted to theory. This is not surprising because …
Reviews in 1998, no contribution was devoted to theory. This is not surprising because …
Polyoxometalate based open-frameworks (POM-OFs)
Polyoxometalate-based open frameworks (POM-OFs) are extended architectures
incorporating metal-oxide cluster units and comprise an emergent family of materials with a …
incorporating metal-oxide cluster units and comprise an emergent family of materials with a …
Polyoxometalate HIV-1 protease inhibitors. A new mode of protease inhibition
Nb-containing polyoxometalates (POMs) of the Wells− Dawson class inhibit HIV-1 protease
(HIV-1P) by a new mode based on kinetics, binding, and molecular modeling studies …
(HIV-1P) by a new mode based on kinetics, binding, and molecular modeling studies …
Protonation, oligomerization, and condensation reactions of vanadate (V), molybdate (VI), and tungstate (VI)
JJ Cruywagen - Advances in inorganic chemistry, 1999 - Elsevier
Publisher Summary This chapter discusses protonation, oligomerization, and condensation
reactions of vanadate (V), molybdate (VI), and tungstate (VI). The elements vanadium …
reactions of vanadate (V), molybdate (VI), and tungstate (VI). The elements vanadium …
Progress and challenges in polyoxometalate-based catalysis and catalytic materials chemistry
CL Hill - Journal of Molecular Catalysis A: Chemical, 2007 - Elsevier
The impact of early transition-metal oxygen-anion cluster (polyoxometalate or “POM”)
geometric and electronic structural properties on POM-based catalysis is addressed. Three …
geometric and electronic structural properties on POM-based catalysis is addressed. Three …
Electronic properties of polyoxometalates: Electron and proton affinity of mixed-addenda Keggin and Wells− Dawson anions
A series of systematic DFT calculations were conducted on Keggin [SiW9M3O40] n-, M= Mo,
V, and Nb; and Wells− Dawson anions [P2M18O62], 6-M= W and Mo;[P2M15M3 'O62] m …
V, and Nb; and Wells− Dawson anions [P2M18O62], 6-M= W and Mo;[P2M15M3 'O62] m …
Ab initio and DFT modelling of complex materials: towards the understanding of electronic and magnetic properties of polyoxometalates
In this review we summarise the quantum chemistry studies carried out by several groups
over the last ten years on polyoxometalates, or polyoxoanions. This is an immense family of …
over the last ten years on polyoxometalates, or polyoxoanions. This is an immense family of …
Synergy of {Co(H2O)6}2+ with a Polyoxometalate Leads to Aqueous Homogeneous Hydrogen Evolution: Experiments and Computations
In this work, we have described a polyoxometalate (POM)-based inexpensive and easily
synthesizable compound [Co (H2O) 6] 2 [{K (H2O)} 2V10O28]· 2H2O (1), which exhibits …
synthesizable compound [Co (H2O) 6] 2 [{K (H2O)} 2V10O28]· 2H2O (1), which exhibits …
Electronic and magnetic properties of α-keggin anions: A DFT Study of [XM12O40] n-,(M= W, Mo; X= AlIII, SiIV, PV, FeIII, CoII, CoIII) and [SiM11VO40] m-(M= Mo and W …
Calculations based on density functional theory (DFT) have been carried out to investigate
the electronic and magnetic properties of the α-Keggin anions mentioned in the title. The …
the electronic and magnetic properties of the α-Keggin anions mentioned in the title. The …
Acid-induced surface functionalization of polyoxometalate by enclosure in a polyhedral silver− alkynyl cage
GG Gao, PS Cheng, TCW Mak - Journal of the American Chemical …, 2009 - ACS Publications
Surface functionalization of polyoxometalate anions with silver (I) tert-butylethynide in an
organic solution medium has been achieved for the first time using an acid-induced facile …
organic solution medium has been achieved for the first time using an acid-induced facile …