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Structural Insights into Hysteretic Spin-Crossover in a Set of Iron(II)-2,6-bis(1H-Pyrazol-1-yl)Pyridine) Complexes.

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 ⋅CH3 NO2 (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.

SUBMITTER: Suryadevara N 

PROVIDER: S-EPMC9305185 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature

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Structural Insights into Hysteretic Spin-Crossover in a Set of Iron(II)-2,6-bis(1H-Pyrazol-1-yl)Pyridine) Complexes.

Suryadevara Nithin N   Mizuno Asato A   Spieker Lea L   Salamon Soma S   Sleziona Stephan S   Maas André A   Pollmann Erik E   Heinrich Benoît B   Schleberger Marika M   Wende Heiko H   Kuppusamy Senthil Kumar SK   Ruben Mario M  

Chemistry (Weinheim an der Bergstrasse, Germany) 20220119 6

Bistable spin-crossover (SCO) complexes that undergo abrupt and hysteretic (ΔT<sub>1/2</sub> ) 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)<sub>2</sub> ](X)<sub>2</sub> ⋅CH<sub>3</sub> NO<sub>2</sub> (X=ClO<sub>4</sub> , 1; X=BF<sub>4</sub> , 2). Stable spin-state switching - T<sub>1/2</sub> =288  ...[more]

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