[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

Research output: Contribution to journalArticle (Academic Journal)peer-review

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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 languageEnglish
JournalNew Journal of Chemistry
Early online date9 Oct 2018
Publication statusE-pub ahead of print - 9 Oct 2018


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