Table 1 Crystallographic and π-π interaction parameters of CH20, CH21 and CH22

From: A rare case of brominated small molecule acceptors for high-efficiency organic solar cells

Compound

Void sizes (shape)

Packing modes

dπ-π[a] (Å)

Intermolecular potentials (kJ mol−1)

VE[b] (meV)

μe,avg[c] (10−4 cm2 V−1s−1)

CH20

18.20 × 14.30 Å

Mode 1 (Dual E/C)

3.425

190.5

21.42

2.14

Mode 2 (Dual E/b)

3.427

162.5

5.41

Mode 3 (C/C)

3.421

76.7

7.21

CH21

16.75 × 13.92 Å

Mode 1 (E/C)

3.389

75.8

4.78

3.45

Mode 2 (E/E)

3.421

129.2

56.84

Mode 3 (Dual C/b)

3.435

194.8

0.82

CH22

16.66 × 14.03 Å

Mode 1 (E/C)

3.310

79.7

6.48

4.63

Mode 2 (E/E)

3.351

129.9

54.69

Mode 3 (Dual C/b)

3.362

195.5

16.13

  1. adπ-π is the π-π distance of intermolecular packing modes of CH20, CH21 and CH22, which is consistent with that of Fig. 3.
  2. bVE is the electron transfer integrals.
  3. cμe is the electron mobility of the corresponding neat films, which was measured by the SCLC method. The average μe calculated from five independent devices.
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