UNIGE document Book Chapter
previous document  unige:3942  next document
add to browser collection
Title

Ligand field theoretical considerations

Author
Published in Topics in current chemistry. Vol. 233 : Spin crossover in transition metal compounds I: Springer. 2004, p. 49-58
Abstract The phenomenon of the thermal spin transition, as observed for octahedral transition metal complexes having a d 4 to d 7 electronic configuration, can be fully rationalised on the basis of ligand field theory. In order to arrive at a self-consistent description of the vibronic structure of spin crossover compounds, it is essential to take into account the fact that the population of anti-bonding orbitals in the high-spin state results in a substantially larger metal-ligand bond length than for the low-spin state. Whereas the electron-electron repulsion is not affected to any great extent by such a bond length difference, the ligand field strength for iron(II) spin crossover compounds can be estimated to be almost twice as large in the low-spin state as compared to the one for the high-spin state. In fact, the dependence of the ligand field strength on the metal-ligand distance may be considered the quantum mechanical driving force for the spin crossover phenomenon.
Keywords Spin crossoverLigand field theoryOptical propertiesVibronic structureConfigurational coordinate
Identifiers
Full text
Structures
Citation
(ISO format)
HAUSER, Andreas. Ligand field theoretical considerations. In: Topics in current chemistry. Vol. 233 : Spin crossover in transition metal compounds I. [s.l.] : Springer, 2004. p. 49-58. doi: 10.1007/b13528 https://archive-ouverte.unige.ch/unige:3942

598 hits

0 download

Update

Deposited on : 2009-10-30

Export document
Format :
Citation style :