The Role of Molecular Vibrations in the Spin Crossover Phenomenon
The prominent role of intra- and inter-molecular vibrations in the spin crossover phenomenon is outlined, based on the results obtained by the spin crossover community. The experimental results gained from various techniques (IR, Raman, X-ray diffraction, heat capacity, Mössbauer spectroscopy, synchrotron radiation techniques, etc.) and their interpretation are described. The contribution of theoretical models (thermodynamic and Ising-like electro-vibrational models) to the understanding of the relationship between the relative energies of the high-spin and low-spin states and molecular vibrations, especially when the high-spin and low-spin energy levels are close to each other, is stressed.
KeywordsSpin crossover Spin-state equilibrium Vibrational properties Molecular vibrations Lattice dynamics Mass effect Isotope substitution IR and Raman spectroscopy Synchrotron radiation techniques Ising-like microscopic model Ising-like electro-vibrational model Macroscopic thermodynamic model
List of Abbreviations and Symbols
Density functional techniques
Extended X-ray absorption fine structure
Fourier transform infrared spectroscopy
Light induced excited spin state trapping
Nuclear forward scattering
Nuclear inelastic scattering
Partial vibrational density of states
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