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The Jahn-Teller Effect

Fundamentals and Implications for Physics and Chemistry

  • Book
  • © 2009

Overview

Editors:
  1. Horst Köppel

    1. LS für Theoretische Chemie, Universität Heidelberg, Heidelberg, Germany

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  2. David R. Yarkony

    1. Dept. Chemistry, Johns Hopkins University, Baltimore, U.S.A.

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  3. Heinz Barentzen

    1. MPI für Festkörperforschung, Stuttgart, Germany

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  • Written by leading international experts, extensive and tutorial reviews complement available textbooks in the field
  • Includes supplementary material: sn.pub/extras

Part of the book series: Springer Series in Chemical Physics (CHEMICAL, volume 97)

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About this book

The Jahn-Teller effect continues to be a paradigm for structural instabilities and dynamical processes in molecules and in the condensed phase. Among the many important newer developments in the field one should mention cooperative phenomena in crystals, the general importance of pseudo-Jahn-Teller couplings for symmetry-lowering phenomena in molecular systems, non-adiabatic processes at conical intersections of potential energy surfaces and extensions of the basic theory in relation to the discovery of fullerenes and other icosahedral systems.

Written by leading international experts the aim of the present volume is to provide a survey of the state-of-the art in Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics, addressing both the non-expert scientist as well as those experts interested in expanding their knowledge into neighboring areas. 

Cast in form of a set of extensive and tutorial reviews – and thus suitable as a complement to available textbooks in the field – the following topics are dealt with in this book:

- Jahn-Teller effect and vibronic interactions: General theory

- Conical intersections and nonadiabatic dynamics in molecular processes

- Impurities; Spectroscopy of transition metal complexes

- Fullerenes and fullerides

- Jahn-Teller effect and molecular magnetism

- The cooperative Jahn-Teller effect and orbital ordering

- Jahn-Teller effect and high-Tc Superconductivity

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Table of contents (27 chapters)

  1. Front Matter

    Pages I-XXI
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  2. Jahn-Teller Effect and Vibronic Interactions: General Theory

    1. Front Matter

      Pages 1-1
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  3. Jahn-Teller effect and vibronic interactions: General theory

    1. Recent Developments in the Jahn–Teller Effect Theory

      • Isaac B. Bersuker
      Pages 3-23

    2. Electronic Degeneracy and Vibrational Degrees of Freedom: The Permutational Proof of the Jahn–Teller Theorem

      • Arnout Ceulemans, Erwin Lijnen
      Pages 25-50

    3. Group-Theoretical Analysis of Jahn–Teller Systems

      • Martin Breza
      Pages 51-76

    4. Spin–Orbit Vibronic Coupling in Jahn–Teller and Renner Systems

      • Leonid V. Poluyanov, Wolfgang Domcke
      Pages 77-97

    5. Vibronic Coupling Constant and Vibronic Coupling Density

      • Tohru Sato, Ken Tokunaga, Naoya Iwahara, Katsuyuki Shizu, Kazuyoshi Tanaka
      Pages 99-129

    6. A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory

      • Matija Zlatar, Carl-Wilhelm Schläpfer, Claude Daul
      Pages 131-165

  4. Conical Intersections and Nonadiabatic Dynamics in Molecular Processes

    1. Front Matter

      Pages 168-168
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  5. Conical intersections and nonadiabatic dynamics in molecular processes

    1. Second-Order Analysis of Conical Intersections: Applications to Photochemistry and Photophysics of Organic Molecules

      • Lluís Blancafort, Benjamin Lasorne, Michael J. Bearpark, Graham A. Worth, Michael A. Robb
      Pages 169-200

    2. Influence of the Geometric Phase and Non-Adiabatic Couplings on the Dynamics of the H+H2 Molecular System

      • Foudhil Bouakline, Bruno Lepetit, Stuart C. Althorpe, Aron Kuppermann
      Pages 201-237

    3. Multi-Mode Jahn–Teller and Pseudo-Jahn–Teller Effects in Benzenoid Cations

      • Shirin Faraji, Etienne Gindensperger, Horst Köppel
      Pages 239-276

    4. On the Vibronic Interactions in Aromatic Hydrocarbon Radicals and Radical Cations

      • V. Sivaranjana Reddy, S. Mahapatra
      Pages 277-309

    5. The Jahn–Teller Effect in Binary Transition Metal Carbonyl Complexes

      • Russell G. McKinlay, Martin J. Paterson
      Pages 311-344

  6. Impurities; Spectroscopy of Transition Metal Complexes

    1. Front Matter

      Pages 346-346
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  7. Impurities; Spectroscopy of transition metal complexes

    1. Jahn–Teller Effect for the 3d Ions (Orbital Triplets in a Cubic Crystal Field)

      • M. G. Brik, N. M. Avram, C. N. Avram
      Pages 347-370

    2. Constructing, Solving and Applying the Vibronic Hamiltonian

      • Philip L. W. Tregenna-Piggott, Mark J. Riley
      Pages 371-413

    3. Instabilities in Doped Materials Driven by Pseudo Jahn–Teller Mechanisms

      • P. Garcı́a-Fernández, A. Trueba, J. M. Garcı́a-Lastra, M. T. Barriuso, M. Moreno, J. A. Aramburu
      Pages 415-449

    4. The Influence of Jahn–Teller Coupling on the High-Spin/Low-Spin Equilibria of Octahedral MIIIL6 Polyhedra (MIII : Mn − Cu), with NiF6 3− as the Model Example

      • D. Reinen, M. Atanasov
      Pages 451-486

  8. Fullerenes and Fullerides

    1. Front Matter

      Pages 488-488
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Editors and Affiliations

  • LS für Theoretische Chemie, Universität Heidelberg, Heidelberg, Germany

    Horst Köppel

  • Dept. Chemistry, Johns Hopkins University, Baltimore, U.S.A.

    David R. Yarkony

  • MPI für Festkörperforschung, Stuttgart, Germany

    Heinz Barentzen

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