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. Covers advanced methodology for general cases, electronic terms and spin-orbit multiplets in the crystal field of any symmetry, and extensive modellingAnalyzes extensive modeling of energy levels and magnetic functions fo complexes of lower symmetryPresents 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 INDICE: 1. Symmetry2. Electronic levels in a free atom3. Electronic levels in a crystal field4. Electronic spectra of transition metal complexes5. Magnetism of transition metal complexes6. Electron spin resonance of transition metal complexes7. High energy spectroscopy8. Key properties of d-electron configurations
- ISBN: 978-0-443-33416-0
- Editorial: Elsevier
- Encuadernacion: Rústica
- Páginas: 400
- Fecha Publicación: 01/10/2024
- Nº Volúmenes: 1
- Idioma: Inglés