The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)2(NCS)2]

Che Hsiu Shih; Chou Fu Sheu; Kenichi Kato; Kunihisa Sugimoto; Jungeun Kim; Yu Wang; Masaki Takata

doi:10.1039/c0dt00470g

The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)₂(NCS)₂]

Che Hsiu Shih, Chou Fu Sheu, Kenichi Kato, Kunihisa Sugimoto, Jungeun Kim, Yu Wang, Masaki Takata

SRIS - SR Core Research Division

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Abstract

The photo-induced superstructure of polymorph C of trans-[Fe(abpt) ₂(NCS)₂] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4- triazole) is discovered as a commensurate modulated structure by single-crystal X-ray diffraction under irradiation. The crystal structure at 25 K before the photo-irradiation composed of two crystallographically independent iron molecules, one of which exhibits high spin (HS) state and the other at low spin (LS) state. Under green laser light (λ = 532 nm) irradiation, the LS molecule (Fe1) is found to be excited to a metastable HS state and gives rise to a commensurate tripled superstructure along the c axis. In addition, it is confirmed that this modulation persists until the HS → LS relaxation temperature beyond 52 K. Our structural findings suggest that the structural modulation and the site-selective LS → HS excitation are highly correlated.

Original language	English
Pages (from-to)	9794-9800
Number of pages	7
Journal	Dalton Transactions
Volume	39
Issue number	41
DOIs	https://doi.org/10.1039/c0dt00470g
Publication status	Published - 2010 Nov 7

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title = "The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)2(NCS)2]",

abstract = "The photo-induced superstructure of polymorph C of trans-[Fe(abpt) 2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4- triazole) is discovered as a commensurate modulated structure by single-crystal X-ray diffraction under irradiation. The crystal structure at 25 K before the photo-irradiation composed of two crystallographically independent iron molecules, one of which exhibits high spin (HS) state and the other at low spin (LS) state. Under green laser light (λ = 532 nm) irradiation, the LS molecule (Fe1) is found to be excited to a metastable HS state and gives rise to a commensurate tripled superstructure along the c axis. In addition, it is confirmed that this modulation persists until the HS → LS relaxation temperature beyond 52 K. Our structural findings suggest that the structural modulation and the site-selective LS → HS excitation are highly correlated.",

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T1 - The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)2(NCS)2]

AU - Shih, Che Hsiu

AU - Sheu, Chou Fu

AU - Kato, Kenichi

AU - Sugimoto, Kunihisa

AU - Kim, Jungeun

AU - Wang, Yu

AU - Takata, Masaki

PY - 2010/11/7

Y1 - 2010/11/7

N2 - The photo-induced superstructure of polymorph C of trans-[Fe(abpt) 2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4- triazole) is discovered as a commensurate modulated structure by single-crystal X-ray diffraction under irradiation. The crystal structure at 25 K before the photo-irradiation composed of two crystallographically independent iron molecules, one of which exhibits high spin (HS) state and the other at low spin (LS) state. Under green laser light (λ = 532 nm) irradiation, the LS molecule (Fe1) is found to be excited to a metastable HS state and gives rise to a commensurate tripled superstructure along the c axis. In addition, it is confirmed that this modulation persists until the HS → LS relaxation temperature beyond 52 K. Our structural findings suggest that the structural modulation and the site-selective LS → HS excitation are highly correlated.

AB - The photo-induced superstructure of polymorph C of trans-[Fe(abpt) 2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4- triazole) is discovered as a commensurate modulated structure by single-crystal X-ray diffraction under irradiation. The crystal structure at 25 K before the photo-irradiation composed of two crystallographically independent iron molecules, one of which exhibits high spin (HS) state and the other at low spin (LS) state. Under green laser light (λ = 532 nm) irradiation, the LS molecule (Fe1) is found to be excited to a metastable HS state and gives rise to a commensurate tripled superstructure along the c axis. In addition, it is confirmed that this modulation persists until the HS → LS relaxation temperature beyond 52 K. Our structural findings suggest that the structural modulation and the site-selective LS → HS excitation are highly correlated.

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The photo-induced commensurate modulated structure in site-selective spin crossover complex trans-[Fe(abpt)₂(NCS)₂]

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