Fig. 1: Molecular geometry of the TSMAs. | Nature Communications

Fig. 1: Molecular geometry of the TSMAs.

From: Geometry design of tethered small-molecule acceptor enables highly stable and efficient polymer solar cells

Fig. 1: Molecular geometry of the TSMAs.The alternative text for this image may have been generated using AI.

a Basic units of TSMAs and the illustration of bend angles of 1,4-substituted benzene, 2,5-substituted thiophene and 3,4-substituted thiophene. b The molecular structures of the TSMAs. c Proposed geometry of TSMAs along with the illustration on the intramolecular NOE signals. 2D 1H-1H NMR spectra of d TDY-α, e TDY-β and f Y6. The calculation of the total energy as a function of the tilt angle of alkyl chain via semiempirical DFTB method for g TDY-α and j TDY-β systems. The top view and side view of the optimal geometric configurations of h, i TDY-α and k, l TDY-β, respectively. The hydrogen atom, the outer and inner chains of the Y6 core are omitted for clarity.

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