Intermetallic phases represent a great frontier for chemical bonding theory: they exhibit a vast structural diversity in which electron count often plays a leading role, a range of intriguing or useful physical properties, and a mystique stemming from the great difficulty encountered when attempting to rationalize or control these phenomena.  In this presentation, we will see how the concept of the isolobal analogy can be applied to connecting many such aspects of transition metal-based intermetallics to the chemistry of coordination and organometallic compounds.  Using the reversed approximation Molecular Orbital method as a tool for testing isolobal analogies, we will discuss such topics as the broad applicability of the 18-electron rule intermetallics, the role of multi-center bonding functions in faciltating covalent electron-sharing between metal atoms, the origins of anti-ferromagnetic ordering, and strategies by which electron-count-driven frustration can be inducded in intermetallic systems.

New bridges with the isolobal analogy: Electron counting in intermetallic phases and strategies for materials discovery

254th National Meeting (2017)

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