2024
DOI: 10.1039/d3tc03710j
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Understanding trends in conductivity in four isostructural multifunctional crystals of Se substituted bis-dithiazolyl radicals

C. Roncero-Barrero,
M. A. Carvajal,
J. Ribas-Ariño
et al.

Abstract: To understand the trends in conductivity in bisdithiazolyl-type radical-based molecular materials, one needs to master a holistic view of the parameters governing the charge transport process (namely, λ, HDA, topology of conduction paths, and ρc).

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“…Let us stress that we will here solely focus on one of the parameters that control the performance of magnetoresistance. Although important information can be extracted from the crystal packing of the BTBN diradicals (namely, intermolecular J AB coupling interactions, magnetic topology, electronic couplings, reorganization energy, conduction paths), [10,11] the intramolecular FM coupling ( JBTBN ${{J}_{BTBN}}$ ) between unpaired electrons located on NN and dibromo TTF + ⋅ radicals is the cornerstone to drive magnetoresistance. Given the relevance of the π‐stacking motif to enable a conduction path, the chemical modifications applied to BTBN that will be here considered have been chosen so that they distort these π‐stacking structural motif within the molecular crystal as little as possible, in the event the material can be synthesized.…”
Section: Introductionmentioning
confidence: 99%
“…Let us stress that we will here solely focus on one of the parameters that control the performance of magnetoresistance. Although important information can be extracted from the crystal packing of the BTBN diradicals (namely, intermolecular J AB coupling interactions, magnetic topology, electronic couplings, reorganization energy, conduction paths), [10,11] the intramolecular FM coupling ( JBTBN ${{J}_{BTBN}}$ ) between unpaired electrons located on NN and dibromo TTF + ⋅ radicals is the cornerstone to drive magnetoresistance. Given the relevance of the π‐stacking motif to enable a conduction path, the chemical modifications applied to BTBN that will be here considered have been chosen so that they distort these π‐stacking structural motif within the molecular crystal as little as possible, in the event the material can be synthesized.…”
Section: Introductionmentioning
confidence: 99%