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Updated: Apr 17, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
An interacting quantum atoms analysis of the metal-metal bond in [M2(CO)8]n systems
Davide Tiana1, E Francisco, P Macchi
1Department of Materials, University of Oxford , Parks Road, Oxford OX1 3PH, U.K.
Abstract:
The metal-metal interaction in policarbonyl metal clusters remains one of the most challenging and controversial issues in metal-organic chemistry, being at heart of a generalized understanding of chemical bonding and of specific applications of these molecules. In this work, the interacting quantum atoms (IQA) approach is used to study the metal-metal interaction in dimetal polycarbonyl dimers, analyzing bridged (Co2(CO)8)), semibridged ([FeCo(CO)8](-)) and unbridged (Co2(CO)8, [Fe2(CO)8](2-)) clusters. In all systems, a delocalized covalent bond is found to occur, involving the metals and the carbonyls, but the global stability of the dimers mainly originates from the Coulombic attraction between the metals and the oxygens.
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