1,2,3-Triazolate-Bridged Tetradecametallic Transition Metal Clusters [M14(L)6O6(OMe)18X6] (M = FeIII, CrIIIand VIII/IV) and Related Compounds:  Ground-State Spins Ranging fromS= 0 toS= 25 and Spin-Enhanced Magnetocaloric Effect

2007 ◽  
Vol 46 (12) ◽  
pp. 4968-4978 ◽  
Author(s):  
Rachel Shaw ◽  
Rebecca H. Laye ◽  
Leigh F. Jones ◽  
David M. Low ◽  
Caytie Talbot-Eeckelaers ◽  
...  
Keyword(s):  
Transition Metal ◽  
Magnetocaloric Effect ◽  
Ground State ◽  
Metal Clusters ◽  
Transition Metal Clusters ◽  
Related Compounds

MAGNETISM OF SMALL TRANSITION-METAL CLUSTERS AND EFFECTS OF ISOMERIZATION

1996 ◽  
Vol 03 (01) ◽  
pp. 463-466 ◽  
Author(s):  
PETER BORRMANN ◽  
BERND DIEKMANN ◽  
EBERHARD R. HILF ◽  
DAVID TOMÁNEK
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Ground State ◽  
Density Functional ◽  
Input Data ◽  
Metal Clusters ◽  
Magnetic Behavior ◽  
Computational Effort ◽  
Transition Metal Clusters ◽  
Ground State Energies

We investigate the magnetic properties of small transition-metal clusters using a simple statistical model, which requires some input data from ab-initio spin-density-functional calculations. In our study, we consider a thermodynamically equilibrated ensemble of clusters with different structures, spin multiplicities, and ground-state energies. We calculate the physical properties of this system by weighting the individual configurations according to the Boltzmann statistics. We find that presence of isomers with very similar ground-state energies, yet very different magnetic properties, gives rise to a rich magnetic behavior of the system which differs significantly from what would be expected for single configurations. We apply the present model to determine the magnetic susceptibility of a cluster ensemble of Langevin paramagnets. Our results show that some of the anomalies in the magnetic behavior of transition-metal clusters might be understood in the framework of our model which is, of course, limited by the extremely high computational effort needed to obtain the input data.

Competitive adsorption of phenol and toluene onto silica-supported transition metal clusters for biofuel purification

2021 ◽  
Author(s):  
Saber Gueddida ◽  
Michael Badawi ◽  
Tejraj Aminabhavi ◽  
Sébastien Lebègue
Keyword(s):  
Transition Metal ◽  
Competitive Adsorption ◽  
Metal Clusters ◽  
Hydrocarbon Fuel ◽  
Energy Performance ◽  
Transition Metal Clusters ◽  
Gas Emissions ◽  
Toxic Gas

Biomass-based renewable hydrocarbon fuel is a complex mix that contains many oxygenating substances, in particular phenolics, which leads to adverse consequences such as reduced engine energy performance and increased toxic gas emissions.

Soluble lanthanide-transition-metal clusters Ln36Co12 as effective molecular electrocatalysts for water oxidation

2021 ◽  
Vol 57 (29) ◽  
pp. 3611-3614
Author(s):  
Rong Chen ◽  
Chao-Long Chen ◽  
Ming-Hao Du ◽  
Xing Wang ◽  
Cheng Wang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Synergistic Effect ◽  
Water Oxidation ◽  
Metal Clusters ◽  
Bond Formation ◽  
Transition Metal Clusters ◽  
Oxidation Activity ◽  
Acidic Conditions ◽  
Effective Water

The stable 48-metal Ln36Co12 clusters show an effective water oxidation activity under weak acidic conditions because of the synergistic effect between lanthanide and transition metals in O–O bond formation.

Magnetic properties of free alkali and transition metal clusters

1991 ◽  
Vol 19 (1-4) ◽  
pp. 241-245 ◽  
Author(s):  
W. Heer ◽  
P. Milani ◽  
A. Ch�telain
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Metal Clusters ◽  
Free Alkali ◽  
Transition Metal Clusters

Molecular orbital study of heterometallic M3C2 organo-transition-metal clusters: orientation of the alkyne moiety

1985 ◽  
Vol 24 (2) ◽  
pp. 218-224 ◽  
Author(s):  
Jean Francois Halet ◽  
Jean Yves Saillard ◽  
Roland Lissillour ◽  
Michael J. McGlinchey ◽  
Gerard Jaouen
Keyword(s):  
Transition Metal ◽  
Molecular Orbital ◽  
Metal Clusters ◽  
Transition Metal Clusters ◽  
Molecular Orbital Study ◽  
Orbital Study
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