2024-03-28T14:08:09Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1485952017-12-18T14:18:15Zcom_10261_31com_10261_3col_10261_284
00925njm 22002777a 4500
dc
Bartual-Murgui, Carlos
author
Roubeau, Olivier
author
Aromí, Guillem
author
2016
Two polymorphs of the spin crossover (SCO) compound [Fe(1,3-bpp)](ClO)(1 and 2; 1,3-bpp=2-(pyrazol-1-yl)-6-(pyrazol-3-yl)pyridine) were prepared using a novel, stepwise procedure. Crystals of 1 deposit from dry solvents, while 2 is obtained from a solid-state procedure, by sequentially removing lattice HO molecules from the solvatomorph [Fe(1,3-bpp)](ClO)⋅2 HO (2⋅2 HO), using single-crystal-to-single-crystal (SCSC) transformations. Hydrate 2⋅2 HO is obtained through the same reaction as 1, now with 2.5 % of water added. Compounds 2 and 2⋅2 HO are unstable in the atmosphere and absorb or lose one equivalent of water, respectively, to both yield the stable solvatomorph [Fe(1,3-bpp)](ClO)⋅HO (2⋅HO), also following SCSC processes. The four derivatives have been characterised by single-crystal X-ray diffraction (SCXRD). Furthermore, the homogeneity of the various compounds as well as their SCSC interconversions have been confirmed by powder X-ray diffraction (PXRD). Polymorphs 1 and 2 exhibit abrupt SCO behaviour near room temperature with T=279/316 K and T=276/314 K (near 40 K of shift) and different cooperativity.
Chemistry - A European Journal 22(36): 12767-12776 (2016)
http://hdl.handle.net/10261/148595
10.1002/chem.201601843
http://dx.doi.org/10.13039/501100003329
http://dx.doi.org/10.13039/501100000781
http://dx.doi.org/10.13039/501100002809
Spin crossover
Solvatomorphs
Single-crystal-to-single-crystal
Iron
Polymorphism
A sequential method to prepare polymorphs and solvatomorphs of [Fe(1,3-bpp)2](ClO4)2⋅nH2O (n=0, 1, 2) with varying spin-crossover behaviour