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

ISSN: 1877-945X (Online)
ISSN: 1877-9441 (Print)


Volume 4, 3 Issues, 2014


Download PDF Flyer




Current Inorganic Chemistry

Aims & ScopeAbstracted/Indexed in


Submit Abstracts Online Submit Manuscripts Online

Editor-in-Chief:
Yann Garcia
Université Catholique de Louvain Institute of Condensed Matter and Nanosciences (IMCN) MOST - Inorganic Chemistry
Louvain-la-Neuve
Belgium


View Full Editorial Board

Subscribe Purchase Articles Order Reprints


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

Author(s): Latevi Max Lawson Daku

Affiliation: Departement de chimie physique, Universite de Geneve, Quai E. Ansermet 30, CH-1211 Geneve 4, Switzerland.

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.

Purchase Online Rights and Permissions

  
  



Article Details

Volume: 3
Issue Number: 3
First Page: 242
Last Page: 259
Page Count: 18
DOI: 10.2174/1877944103666140110231029
Advertisement

Related Journals




Webmaster Contact: urooj@benthamscience.org Copyright © 2014 Bentham Science