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Photochemistry of Transition Metal Complexes: Theory

  1. Chantal Daniel

Published Online: 15 DEC 2011

DOI: 10.1002/9781119951438.eibc0175

Encyclopedia of Inorganic and Bioinorganic Chemistry

Encyclopedia of Inorganic and Bioinorganic Chemistry

How to Cite

Daniel, C. 2011. Photochemistry of Transition Metal Complexes: Theory . Encyclopedia of Inorganic and Bioinorganic Chemistry. .

Author Information

  1. Université Louis Pasteur, Strasbourg, France

Publication History

  1. Published Online: 15 DEC 2011

Abstract

The most significant developments in quantum chemistry and wave packet dynamics that provide the theoretical tools to study the electronic spectroscopy and photoreactivity of transition metal complexes are presented. The difficulties inherent to this class of molecules as well as the degree of maturity of the theoretical approaches are discussed. Recent applications in the chemistry of transition metal complexes are selected to outline and to illustrate the necessity for a strong interplay between theory and experiments.

Keywords:

  • electronic spectroscopy;
  • state correlation diagrams;
  • potential energy surfaces;
  • quantum chemistry;
  • wave packet propagations;
  • photodissociation dynamics