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For brevity, we use acronyms of these materials throughout the work: 4,8-bis( 1,3-dithiol-2-ylidene)-4H,8H-benzo[1,2-c:4,5-c′]bis[1,2,5]- thiadiazole (BTQBT); 4,8-bis(1,3-dithiol-2-ylidene)-4H,8H-[1,2, 5]selenadiazolo[3,4-f]-2,1,3-benzothiadiazole (TSQBT); 4,8-bis(1,3-diselenol-2- ylidene)-4H,8H-benzo[1,2-c:4,5-c′]bis[1,2,5]thiadiazole (BTQBS); tetramethyl-BTQBT (TMBTQBT).
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A (001) dimer excised from the single crystal of BTQBT was calculated to obtain transfer integrals from the dimer level splittings. (calculated by the software Hyperchem.)
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64
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22444431994
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note
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This issue is further discussed in the Supporting Information section.
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