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

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.

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New approach to bonding in transition-metal clusters and related compounds

Inorganic Chemistry ◽

10.1021/ic50216a049 ◽

1981 ◽

Vol 20 (2) ◽

pp. 563-571 ◽

Cited By ~ 169

Author(s):

A. J. Stone

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Transition Metal Clusters ◽

New Approach ◽

Related Compounds

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

Molecular Systems Design & Engineering ◽

10.1039/d1me00046b ◽

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.

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Bridging Aromatic/Antiaromatic Units. Recent Advances in Aromaticity and Antiaromaticity in Main‐group and Transition‐metal Clusters From Bonding and Magnetic analyses

European Journal of Inorganic Chemistry ◽

10.1002/ejic.202100519 ◽

2021 ◽

Author(s):

Nikolay V. Tkachenko ◽

Ivan A. Popov ◽

Maksim Kulichenko ◽

Nikita Fedik ◽

Zhong-Ming Sun ◽

...

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Main Group ◽

Transition Metal Clusters ◽

Recent Advances

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Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)4S4] Cubanes

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c00397 ◽

2021 ◽

Author(s):

Giovanni Li Manni ◽

Werner Dobrautz ◽

Nikolay A. Bogdanov ◽

Kai Guther ◽

Ali Alavi

Keyword(s):

Transition Metal ◽

Metal Clusters ◽

Spin Exchange ◽

Low Energy ◽

Transition Metal Clusters ◽

Singlet States ◽

Energy States

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

Chemical Communications ◽

10.1039/d0cc08132a ◽

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.

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