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- Title
Structural Insights into Hysteretic Spin‐Crossover in a Set of Iron(II)‐2,6‐bis(1H‐Pyrazol‐1‐yl)Pyridine) Complexes.
- Authors
Suryadevara, Nithin; Mizuno, Asato; Spieker, Lea; Salamon, Soma; Sleziona, Stephan; Maas, André; Pollmann, Erik; Heinrich, Benoît; Schleberger, Marika; Wende, Heiko; Kuppusamy, Senthil Kumar; Ruben, Mario
- Abstract
Bistable spin‐crossover (SCO) complexes that undergo abrupt and hysteretic (ΔT1/2) spin‐state switching are desirable for molecule‐based switching and memory applications. In this study, we report on structural facets governing hysteretic SCO in a set of iron(II)‐2,6‐bis(1H‐pyrazol‐1‐yl)pyridine) (bpp) complexes – [Fe(bpp−COOEt)2](X)2⋅CH3NO2 (X=ClO4, 1; X=BF4, 2). Stable spin‐state switching – T1/2=288 K; ΔT1/2=62 K – is observed for 1, whereas 2 undergoes above‐room‐temperature lattice‐solvent content‐dependent SCO – T1/2=331 K; ΔT1/2=43 K. Variable‐temperature single‐crystal X‐ray diffraction studies of the complexes revealed pronounced molecular reorganizations – from the Jahn‐Teller‐distorted HS state to the less distorted LS state – and conformation switching of the ethyl group of the COOEt substituent upon SCO. Consequently, we propose that the large structural reorganizations rendered SCO hysteretic in 1 and 2. Such insights shedding light on the molecular origin of thermal hysteresis might enable the design of technologically relevant molecule‐based switching and memory elements.
- Subjects
PYRIDINE; SPIN crossover; IRON; ETHYL group; X-ray diffraction; HYSTERESIS
- Publication
Chemistry - A European Journal, 2022, Vol 28, Issue 6, p1
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.202103853