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.
Les mer
1. Symmetry 2. Electronic levels in a free atom 3. Electronic levels in a crystal field 4. Electronic spectra of transition metal complexes 5. Magnetism of transition metal complexes 6. Electron spin resonance of transition metal complexes 7. High energy spectroscopy 8. Key properties of d-electron configurations
Les mer
Presents a fully computational way of generating electronic energy levels in metal complexes in general cases
Covers advanced methodology for general cases, electronic terms and spin-orbit multiplets in the crystal field of any symmetry, and extensive modelling Analyzes extensive modeling of energy levels and magnetic functions fo complexes of lower symmetry Presents energy level diagrams and magnetic functions are presented for the most important cases, such as the octahedron, elongated tetragonal pyramid, compressed tetragonal pyramid, tetrahedron, prolate bisphenoid, flattened bisphenoid, trigonal bipyramid, tetragonal bipyramid, and o-rhombic bypyramid for d1 to d9 systems
Les mer

Produktdetaljer

ISBN
9780443334160
Publisert
2024-11-15
Utgiver
Vendor
Elsevier - Health Sciences Division
Vekt
1080 gr
Høyde
276 mm
Bredde
216 mm
Aldersnivå
P, 06
Språk
Product language
Engelsk
Format
Product format
Heftet
Antall sider
398

Om bidragsyterne

Roman Boča works at the University of Ss Cyril and Methodius in Trnava, Slovakia.