Abstract
A series of donor–acceptor type co-crystals of fullerene (as the acceptor) and arylthio-substituted tetrathiafulvalene derivatives (Ar-S-TTF, as the donor) were prepared and their structural features were thoroughly investigated. The formation of co-crystals relies on the flexibility of Ar-S-TTF and the size matches between Ar-S-TTF and fullerene. Regarding their compositions, the studied co-crystals can be divided into two types, where types I and II have donor:acceptor ratios of 1:1 and 1:2, respectively. Multiple intermolecular interactions are observed between the donor and acceptor, which act to stabilize the structures of the resulting co-crystals. In the type I co-crystals, the fullerene molecule is surrounded by four Ar-S-TTF molecules, that is, two Ar-S-TTF molecules form a sandwich structure with one fullerene molecule and the other two Ar-S-TTF molecules interact with the fullerene molecule along their lateral axes. In the type II co-crystals, one fullerene molecule has the donor–acceptor mode similar to that in type I, whereas the other fullerene molecule is substantially surrounded by the aryl groups on Ar-S-TTF molecules and the solvent molecules.
Highlights
Tetrathiafulvalene (TTF) [1,2,3] and its derivatives have attracted significant interest for decades
On the basis of hundreds of experimental runs, we found that the Ar-S-TTFs possessing the first redox potential (E1/21) smaller than 0.6 V could form the co-crystal-type complexes with fullerene molecules C60 and/or C70, whereas those with E1/21 > 0.6 V could not afford the desired complexes
The interaction between the aryls and fullerene molecules is very important to stabilize the structure of the co-crystals as reported in the crystal structures section
Summary
Tetrathiafulvalene (TTF) [1,2,3] and its derivatives have attracted significant interest for decades. Crystallographic investigation reveals that the multidimensional interaction networks consisting of a central TTF core, peripheral aryls, and fullerenes are the key factors to stabilize the resulting supramolecular structures. The D:A ratio for the co-crystals results from the cooperative effects of the geometry of Ar-S-TTF ( the peripheral aryls), the shape and size of the fullerene molecules, and the solvent molecules.
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