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Systematic study of Au6 to Au12 gold clusters on MgO(100) F centers using density-functional theory

Lasse B Vilhelmsen1, Bjørk Hammer

  • 1Interdisciplinary Nanoscience Center (iNANO) and Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C, Denmark.

Physical Review Letters
|May 1, 2012
PubMed

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...