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

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

doi:10.1039/c8nj03627f

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

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

Authors

Helen E. Mason

Michelle L. Hamilton

Judith A.K. Howard

Hazel A. Sparkes

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.

Citation

Mason, H. E., Hamilton, M. L., Howard, J. A., & Sparkes, H. A. (2018). [Fe(abpt)2(NCSe)2] polymorph A: structural studies into the spin crossover behaviour. New Journal of Chemistry, 42(22), 18028-18037. https://doi.org/10.1039/c8nj03627f

Journal Article Type	Article
Acceptance Date	Oct 9, 2018
Online Publication Date	Oct 9, 2018
Publication Date	Oct 9, 2018
Deposit Date	Jan 8, 2019
Publicly Available Date	Oct 9, 2019
Journal	New Journal of Chemistry
Print ISSN	1144-0546
Electronic ISSN	1369-9261
Publisher	Royal Society of Chemistry
Peer Reviewed	Peer Reviewed
Volume	42
Issue	22
Pages	18028-18037
DOI	https://doi.org/10.1039/c8nj03627f