Generic placeholder image

Current Inorganic Chemistry (Discontinued)

Author(s): Latevi Max Lawson Daku

DOI: 10.2174/1877944103666140110231029

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

Page: [242 - 259] Pages: 18

  • * (Excluding Mailing and Handling)

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.

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