Other version: http://www.springerlink.com/content/mvk320ha3fph6r96/
Highlights
Book Chapter
unige:3942 
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Ligand field theoretical considerations |
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| 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 crossover — Ligand field theory — Optical properties — Vibronic structure — Configurational coordinate | |
| Identifiers | DOI: 10.1007/b13528 | |
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| 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 |
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