Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2′-Benzimidazolyl)-1,2,3,5-dithiadiazolyl

Abstract : The neutral radical 4-(2′-benzimidazolyl)- 1,2,3,5-dithiadiazolyl (HbimDTDA) exhibits a first order phase transition around 270 K without symmetry breaking, preserving its orthorhombic Pbca space group between 340 and 100 K. Associated with this reversible single-crystal-to-single-crystal phase transition, thermal hysteresis of the magnetic susceptibility is observed. The low temperature (LT) phase is diamagnetic owing to pancake bonding between the π-radicals. In the paramagnetic high temperature (HT) phase, the pancake bonds are broken, and new electrostatic contacts are apparent. As a result of the dense 3D network of supramolecular contacts, which includes H-bonds, the HbimDTDA system provides the first example of magnetic bistability for a DTDA radical.
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Submitted on : Thursday, November 7, 2019 - 3:43:08 PM
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Michelle Mills, Tobie Wohlhauser, Benjamin Stein, Willem Verduyn, Ellen Song, et al.. Magnetic Bistability in Crystalline Organic Radicals: The Interplay of H-bonding, Pancake Bonding, and Electrostatics in 4-(2′-Benzimidazolyl)-1,2,3,5-dithiadiazolyl. Journal of the American Chemical Society, American Chemical Society, 2018, 140 (49), pp.16904-16908. ⟨10.1021/jacs.8b10370⟩. ⟨hal-02354055⟩

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