Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

Title:Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

Volume: 3 Issue: 3

Author(s): Latevi Max Lawson Daku

Affiliation:

Keywords: Density functional theory, spin crossover, transition metal complexes.

Abstract: Using the study of the low-spin complex [Fe(bpy)₃]²⁺ in the gas phase and in condensed phases as a guideline, we examine different aspects of the application of DFT to the study of transition metal complexes in the framework of spin crossover or related phenomena.

Cite this article as:

Lawson Daku Max Latevi, Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective, Current Inorganic Chemistry (Discontinued) 2013; 3 (3) . https://dx.doi.org/10.2174/1877944103666140110231029

DOI https://dx.doi.org/10.2174/1877944103666140110231029	Print ISSN 1877-9441
Publisher Name Bentham Science Publisher	Online ISSN 1877-945X