[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.

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
• Public URL: https://durham-repository.worktribe.com/output/1305944