The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry

✍ Scribed by Isaac B. Bersuker (auth.), Horst Köppel, David R. Yarkony, Heinz Barentzen (eds.)

• Publisher: Springer-Verlag Berlin Heidelberg
• Year: 2009
• Tongue: English
• Leaves: 912
• Series: Springer Series in Chemical Physics 97
• Edition: 1
• Category: Library

✦ Synopsis

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

✦ Table of Contents

Front Matter....Pages I-XXI
Front Matter....Pages 1-1
Recent Developments in the Jahn–Teller Effect Theory....Pages 3-23
Electronic Degeneracy and Vibrational Degrees of Freedom: The Permutational Proof of the Jahn–Teller Theorem....Pages 25-50
Group-Theoretical Analysis of Jahn–Teller Systems....Pages 51-76
Spin–Orbit Vibronic Coupling in Jahn–Teller and Renner Systems....Pages 77-97
Vibronic Coupling Constant and Vibronic Coupling Density....Pages 99-129
A New Method to Describe the Multimode Jahn–Teller Effect Using Density Functional Theory....Pages 131-165
Front Matter....Pages 168-168
Second-Order Analysis of Conical Intersections: Applications to Photochemistry and Photophysics of Organic Molecules....Pages 169-200
Influence of the Geometric Phase and Non-Adiabatic Couplings on the Dynamics of the H+H 2 Molecular System....Pages 201-237
Multi-Mode Jahn–Teller and Pseudo-Jahn–Teller Effects in Benzenoid Cations....Pages 239-276
On the Vibronic Interactions in Aromatic Hydrocarbon Radicals and Radical Cations....Pages 277-309
The Jahn–Teller Effect in Binary Transition Metal Carbonyl Complexes....Pages 311-344
Front Matter....Pages 346-346
Jahn–Teller Effect for the 3d Ions (Orbital Triplets in a Cubic Crystal Field)....Pages 347-370
Constructing, Solving and Applying the Vibronic Hamiltonian....Pages 371-413
Instabilities in Doped Materials Driven by Pseudo Jahn–Teller Mechanisms....Pages 415-449
The Influence of Jahn–Teller Coupling on the High-Spin/Low-Spin Equilibria of Octahedral M III L 6 Polyhedra (M III : Mn − Cu), with NiF 6 3− as the Model Example....Pages 451-486
Front Matter....Pages 488-488
Following Jahn–Teller Distortions in Fulleride Salts by Optical Spectroscopy....Pages 489-515
Jahn–Teller Effects in Molecules on Surfaces with Specific Application to C 60 ....Pages 517-551
Front Matter....Pages 554-554
Jahn–Teller Effect in Molecular Magnetism: An Overview....Pages 555-619
The Effect of Jahn–Teller Coupling in Hexacyanometalates on the Magnetic Anisotropy in Cyanide-Bridged Single-Molecule Magnets....Pages 621-650
Front Matter....Pages 652-652
Cooperative Jahn–Teller Effect: Fundamentals, Applications, Prospects....Pages 653-683
Front Matter....Pages 652-652
Orbital Ordering Versus the Traditional Approach in the Cooperative Jahn–Teller Effect: A Comparative Study....Pages 685-725
Frustration Effect in Strongly Correlated Electron Systems with Orbital Degree of Freedom....Pages 727-742
Ultrasonic Consequences of the Jahn–Teller Effect....Pages 743-766
Long Range Cooperative and Local Jahn-Teller Effects in Nanocrystalline Transition Metal Thin Films....Pages 767-808
Front Matter....Pages 810-810
Jahn–Teller Polarons, Bipolarons and Inhomogeneities. A Possible Scenario for Superconductivity in Cuprates....Pages 811-839
Polarons and Bipolarons in Jahn–Teller Crystals....Pages 841-871
Vibronic Polarons and Electric Current Generation by a Berry Phase in Cuprate Superconductors....Pages 873-905
Back Matter....Pages 907-915

✦ Subjects

Physical Chemistry;Solid State Physics;Spectroscopy and Microscopy;Theoretical and Computational Chemistry;Atomic/Molecular Structure and Spectra