Verwandte Artikel zu Electronic Energy Levels of Transition Metal Complexes

Electronic Energy Levels of Transition Metal Complexes - Softcover

Boča

 
9780443334160: Electronic Energy Levels of Transition Metal Complexes
Softcover
ISBN 10: 0443334161 ISBN 13: 9780443334160
Verlag: Elsevier, 2024

Inhaltsangabe

Electronic Energy Levels of Transition Metal Complexes guides the reader to understand how to comprehensively calculate (predict, reconstruct) electronic energy levels of separation between 0,1 to 30,000 cm-1 in d1 to d9 transition metal complexes. The applied apparatus helps to understand the individual effect of the interelectron repulsion, crystal field strength, spin-orbit coupling and the magnetic field for any symmetry. Symmetry labels can be attached to energy levels (eigenvalues) by analyzing the eigenvectors of the model Hamiltonian either at the level of crystal-field terms or crystal-field multiplets.

This book includes basic formulae for matrix elements of the model Hamiltonian and a huge number of results presented as graphs identifying the order of the energy levels and their labelling using the group (double group) irreducible representations. Utilization of the generated energy levels in electron spectroscopy, electron spin resonance and magnetochemistry is presented. Massive modelling was done using the desktop computers.

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Über die Autorin bzw. den Autor

Roman Boča is a Professor of Inorganic Chemistry, affiliated previously at the Slovak University of Technology in Bratislava, and presently at University of SS Cyril and Methodius in Trnava, Slovakia. He has published about 400 scientific papers dealing with methodological development and applications of quantum chemical methods to coordination compounds, and in recent years to theoretical and experimental magnetochemistry of single-molecule and single-ion magnets.

Von der hinteren Coverseite

Electronic Energy Levels of Transition Metal Complexes guides the reader to understand how to comprehensively calculate (predict, reconstruct) electronic energy levels of separation between 0,1 to 30,000 cm-1 in d1 to d9 transition metal complexes. The applied apparatus helps to understand the individual effect of the interelectron repulsion, crystal field strength, spin-orbit coupling and the magnetic field for any symmetry. Symmetry labels can be attached to energy levels (eigenvalues) by analyzing the eigenvectors of the model Hamiltonian either at the level of crystal-field terms or crystal-field multiplets.

This book includes basic formulae for matrix elements of the model Hamiltonian and a huge number of results presented as graphs identifying the order of the energy levels and their labelling using the group (double group) irreducible representations. Utilization of the generated energy levels in electron spectroscopy, electron spin resonance and magnetochemistry is presented. Massive modelling was done using the desktop computers.

„Über diesen Titel“ kann sich auf eine andere Ausgabe dieses Titels beziehen.

Verlag
Elsevier
Erscheinungsdatum
2024
Sprache
Englisch
ISBN 10 
0443334161
ISBN 13 
9780443334160
Einband
Taschenbuch
Auflage
1
Anzahl der Seiten
398
Kontakt zum Hersteller
Elsevier Science & Technology
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