ZHANG, Xin; MU, Sai; CHASTANET, Guillaume; DARO, Nathalie; PALAMARCIUC, Tatiana; ROSA, Patrick; LÉTARD, Jean-François; LIU, Jing; STERBINSKY, George E.; ARENA, Dario A.; ETRILLARD, Céline; KUNDYS, Bohdan; DOUDIN, Bernard; DOWBEN, Peter A.

doi:10.1021/acs.jpcc.5b02220

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ZHANG, Xin
Department of Physics and Astronomy [Lincoln]

MU, Sai
Department of Physics and Astronomy [Lincoln]

CHASTANET, Guillaume
Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB]

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Article de revue

Ce document a été publié dans

Journal of Physical Chemistry C. 2015, vol. 119, n° 28, p. 16293-16302

American Chemical Society

Résumé en anglais

Variable-temperature studies of the electronic structures of four different Fe(II) spin crossover molecules, [Fe(H2B(pz)2)2(bipy)] (pz = pyrazol-1-yl, bipy = 2,2′-bipyridine), [Fe(H2B(pz)2)2(phen)], [Fe(phen)2(NCS)2] (phen = 9,10-phenantroline), and [Fe(PM-AzA)2(NCS)2] (PM-AzA = 4-phenyldiazenyl-N-(pyridin-2-ylmethylene)aniline) by X-ray absorption spectroscopy (XAS), combined with electrical properties studies of the [Fe(PM-AzA)2(NCS)2] single crystal are presented. We show that both the XAS signature of the spin state of powdered samples and the dielectric permittivity of the [Fe(PM-AzA)2(NCS)2] single crystal change at significantly lower temperatures than the magnetometry, structure, and resistivity indicators of a spin crossover transition. The changes in electronic structure are in agreement with the expectations from density functional theory (DFT) results for the different molecular electronic structures associated with the high-spin and low-spin states. These findings suggest that the electronic structure phase ordering process does not simply follow the spin transition.< Réduire

Mots clés en anglais

molecular spin crossover transitions

electronic structure changes

X-ray absorption spectroscopy

DOI

http://dx.doi.org/10.1021/acs.jpcc.5b02220

Project ANR

Éléments de mémoires multifonctionnels utilisant des connections supramoléculaires auto assemblées - ANR-11-BS08-0006

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Institut de Chimie de la Matière Condensée de Bordeaux (ICMCB) - UMR 5026