Table 1 Photophysical and electrochemical properties of SMAs

From: Asymmetric small-molecule acceptor enables suppressed electron-vibration coupling and minimized driving force for organic solar cells

Acceptors

TGA [°C]

λmax [nm]

λonset [nm]

Egopt [eV]a

EHOMOCV [eV]b

ELUMOCV [eV]b

EHOMODFT [eV]c

ELUMODFT [eV]c

λsol

λfilm

BTP-DC11

360.9

730

824

912

1.359

−5.84

−4.06

−5.88

−3.77

BTP-DTBO

345.7

733

810

920

1.348

−5.67

−3.99

−5.88

−3.74

BTP-DBO

366.5

733

801

899

1.379

−5.78

−3.94

−5.91

−3.79

BTP-C11-TBO

360.9

732

821

928

1.336

−5.75

−4.04

−5.88

−3.76

BTP-BO-TBO

366.1

731

804

902

1.375

−5.69

−3.91

−5.90

−3.77

  1. aCalculated from the absorption onsets of acceptors; Egopt = 1240/λonset.
  2. bCalculated from the onsets of reduction/oxidation potentials.
  3. cCalculated the EHOMO and ELUMO by density functional theory (DFT).