On the dielectric properties of the spin crossover complex [Fe(bpp)2] [BF4]2
BONHOMMEAU, Sébastien
Laboratoire de chimie de coordination [LCC]
Laboratoire Physique des Solides de Toulouse
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Laboratoire de chimie de coordination [LCC]
Laboratoire Physique des Solides de Toulouse
BONHOMMEAU, Sébastien
Laboratoire de chimie de coordination [LCC]
Laboratoire Physique des Solides de Toulouse
< Réduire
Laboratoire de chimie de coordination [LCC]
Laboratoire Physique des Solides de Toulouse
Langue
en
Article de revue
Ce document a été publié dans
physica status solidi (a). 2006, vol. 203, n° 11, p. 2974-2980
Wiley
Résumé en anglais
The thermal variation of the dielectric constant in the spin crossover complex [Fe(bpp)2] [BF4]2 displays a 16 K large hysteresis loop centered around 178 K corresponding to the spin transition temperatures. Unexpectedly, ...Lire la suite >
The thermal variation of the dielectric constant in the spin crossover complex [Fe(bpp)2] [BF4]2 displays a 16 K large hysteresis loop centered around 178 K corresponding to the spin transition temperatures. Unexpectedly, the dielectric constant has a higher value in the low-spin state. DFT calculations were carried out to determine the microscopic electronic polarizabilities, but these latter could not be correlated with the macroscopic permittivity changes pointing the importance of the effect of the counter-anions which must be necessarily taken into account in future DFT calculations.< Réduire
Mots clés en anglais
Dielectric properties of solids and liquids
Infrared and Raman spectra
Density functional theory
Spin crossover
Origine
Importé de halUnités de recherche