Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(II) - Archive ouverte HAL Access content directly
Journal Articles New Journal of Chemistry Year : 2022

Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(II)


Solvatomorphism and polymorphism play a crutial role in defining charachteristics of spin crossover (SCO) in coordination compounds. In this paper we describe a detailed characterization of the SCO bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(II) complex ([Fe(HB(1,2,3-tz)3)2]) 1. Five solvatomorphs of 1∙2Solv (where Solv = DMSO, MeOH, CHCl3), 1∙7DMSO and 1∙2DMF∙H2O were obtained ¬via recrystallization from the respective organic solvents. Solvatomorphs 1∙2MeOH and 1∙2CHCl3 undergo single-crystal-to-single-crystal transformations leading to 1 upon heating above 313 K. Single-crystal X-Ray diffraction analysis revealed π-π stacking and C–H···N contacts between molecules of the complex both in the solvated and desolvated crystals. Spin crossover and thermal properties of 1 and its solvates were investigated by means of calorimetry, thermogravimetry, Mössbauer spectroscopy, variable temperature magnetic susceptibility, Raman spectroscopy and powder X-Ray diffraction measurements. The anhydrous [Fe(HB(1,2,3-tz)3)2] complex, obtained via dehydration of the dodecahydrate, undergoes structural phase transitions upon the first heating in the 303-493 K range followed by reversible, gradual spin crossover upon further thermal cycling, with a transition temperature of T1/2 = 373 K.
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hal-03671044 , version 1 (18-05-2022)



Oleksandr Horniichuk, Karl Ridier, Gábor Molnár, Volodymyr O. Kotsyubynsky, Sergiu Shova, et al.. Solvatomorphism, polymorphism and spin crossover in bis[hydrotris(1,2,3-triazol-1-yl)borate]iron(II). New Journal of Chemistry, 2022, 46 (24), pp.11734-11740. ⟨10.1039/D2NJ01471H⟩. ⟨hal-03671044⟩
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