Multiscale Experimental and Theoretical Investigations of Spin Crossover FeII Complexes: Examples of [Fe(phen)2(NCS)2] and [Fe(PM-BiA)2(NCS)2]

Multiscale Experimental and Theoretical Investigations of Spin Crossover FeII Complexes: Examples of [Fe(phen)2(NCS)2] and [Fe(PM-BiA)2(NCS)2]

For spin crossover (SCO) complexes, computation results are reported and confirmed with experiments at multiscale levels of the isolated molecule and extended solid on the one hand and theory on the other hand. The SCO phenomenon which characterizes organometallics based on divalent iron in an oc...

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Bibliographic Details
Main Authors: Samir F. Matar, Philippe Guionneau, Guillaume Chastanet
Format: Article
Language:English
Published: MDPI AG 2015-02-01
Series:International Journal of Molecular Sciences
Subjects:
spin-crossover complex
DFT
photo-switching
molecular dynamics
(P, T) phase diagram
Online Access:http://www.mdpi.com/1422-0067/16/2/4007

Internet

http://www.mdpi.com/1422-0067/16/2/4007

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