The electron density distribution is afundamental property that provides information on the way in which atoms are held together to form molecules, polymers or supramolecular aggregates. Particular attention should be dedicated to the investigation of inorganic or organometallic materials, for their application in several fields. The goal of the research in this area is to find the inherent relationship between the actual electron density distribution of a molecule or a solid and its properties, including reactivity. This review summarizes the most recent results of electron density analysis and gives some personal perspective on future developments, focusing on applications in material science. © Schweizerische Chemische Gesellschaft.

Electron density distribution in organometallic materials

Macchi, Piero
2009-01-01

Abstract

The electron density distribution is afundamental property that provides information on the way in which atoms are held together to form molecules, polymers or supramolecular aggregates. Particular attention should be dedicated to the investigation of inorganic or organometallic materials, for their application in several fields. The goal of the research in this area is to find the inherent relationship between the actual electron density distribution of a molecule or a solid and its properties, including reactivity. This review summarizes the most recent results of electron density analysis and gives some personal perspective on future developments, focusing on applications in material science. © Schweizerische Chemische Gesellschaft.
2009
Electron density; Molecular orbital; Quantum chemistry; X-ray diffraction; Chemistry (all)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11311/1063400
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