[Fe(abpt)2(NCSe)2] polymorph A: Structural studies into the spin crossover behaviour

Helen E. Mason; Michelle L. Hamilton; Judith A. K. Howard; Hazel A. Sparkes

doi:10.1039/C8NJ03627F

[Fe(abpt)₂(NCSe)₂] polymorph A: Structural studies into the spin crossover behaviour

Helen E. Mason
, Michelle L. Hamilton
, Judith A. K. Howard
, Hazel A. Sparkes

School of Chemistry

Research output: Contribution to journal › Article (Academic Journal) › peer-review

5 Citations (Scopus)

208 Downloads (Pure)

Abstract

The spin crossover behaviour of [Fe(abpt)₂(NCSe)₂] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorph A has been examined using single crystal X-ray diffraction and variable temperature UV-Vis transmission spectroscopy. The crystal structure of A is reported at sixteen temperatures between 30 and 375 K, all of which are in the monoclinic space group P2₁/n with Z’ = 0.5. Changes in the crystallographic cell parameters, bond lengths, distortion parameters and intra and intermolecular interactions between 375 K and 30 K are discussed. Continuous irradiation with a 670 nm, 5 mW CW laser at 30 K enabled a light induced excited spin state trapping (LIESST) metastable high spin structure, HS*, to be obtained.

Original language	English
Journal	New Journal of Chemistry
Early online date	9 Oct 2018
DOIs	https://doi.org/10.1039/C8NJ03627F
Publication status	E-pub ahead of print - 9 Oct 2018

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@article{30a3859966474edcaf5da2f9fa62c2e2,

title = "[Fe(abpt)2(NCSe)2] polymorph A: Structural studies into the spin crossover behaviour",

abstract = "The spin crossover behaviour of [Fe(abpt)2(NCSe)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorph A has been examined using single crystal X-ray diffraction and variable temperature UV-Vis transmission spectroscopy. The crystal structure of A is reported at sixteen temperatures between 30 and 375 K, all of which are in the monoclinic space group P21/n with Z{\textquoteright} = 0.5. Changes in the crystallographic cell parameters, bond lengths, distortion parameters and intra and intermolecular interactions between 375 K and 30 K are discussed. Continuous irradiation with a 670 nm, 5 mW CW laser at 30 K enabled a light induced excited spin state trapping (LIESST) metastable high spin structure, HS*, to be obtained.",

author = "Mason, \{Helen E.\} and Hamilton, \{Michelle L.\} and Howard, \{Judith A. K.\} and Sparkes, \{Hazel A.\}",

year = "2018",

month = oct,

day = "9",

doi = "10.1039/C8NJ03627F",

language = "English",

journal = "New Journal of Chemistry",

issn = "1144-0546",

publisher = "Royal Society of Chemistry",

}

TY - JOUR

T1 - [Fe(abpt)2(NCSe)2] polymorph A

T2 - Structural studies into the spin crossover behaviour

AU - Mason, Helen E.

AU - Hamilton, Michelle L.

AU - Howard, Judith A. K.

AU - Sparkes, Hazel A.

PY - 2018/10/9

Y1 - 2018/10/9

N2 - The spin crossover behaviour of [Fe(abpt)2(NCSe)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorph A has been examined using single crystal X-ray diffraction and variable temperature UV-Vis transmission spectroscopy. The crystal structure of A is reported at sixteen temperatures between 30 and 375 K, all of which are in the monoclinic space group P21/n with Z’ = 0.5. Changes in the crystallographic cell parameters, bond lengths, distortion parameters and intra and intermolecular interactions between 375 K and 30 K are discussed. Continuous irradiation with a 670 nm, 5 mW CW laser at 30 K enabled a light induced excited spin state trapping (LIESST) metastable high spin structure, HS*, to be obtained.

AB - The spin crossover behaviour of [Fe(abpt)2(NCSe)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorph A has been examined using single crystal X-ray diffraction and variable temperature UV-Vis transmission spectroscopy. The crystal structure of A is reported at sixteen temperatures between 30 and 375 K, all of which are in the monoclinic space group P21/n with Z’ = 0.5. Changes in the crystallographic cell parameters, bond lengths, distortion parameters and intra and intermolecular interactions between 375 K and 30 K are discussed. Continuous irradiation with a 670 nm, 5 mW CW laser at 30 K enabled a light induced excited spin state trapping (LIESST) metastable high spin structure, HS*, to be obtained.

U2 - 10.1039/C8NJ03627F

DO - 10.1039/C8NJ03627F

M3 - Article (Academic Journal)

SN - 1144-0546

JO - New Journal of Chemistry

JF - New Journal of Chemistry

ER -

[Fe(abpt)2(NCSe)2] polymorph A: Structural studies into the spin crossover behaviour

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[Fe(abpt)₂(NCSe)₂] polymorph A: Structural studies into the spin crossover behaviour