Table 1 Optical and electrochemical parameters of NaO1, NaO2, and NaO3

From: Fused-ring isomerism modulates molecular packing and device performance in non-halogenated organic solar cells

Acceptor

λmaxsol (nm)

λmaxfilm (nm)

λonsetfilm (nm)

Egopta (eV)

LUMOb (eV)

HOMOb (eV)

EgCV (eV)

LUMOc (eV)

HOMOc (eV)

Electron coupling (meV)

NaO1

709

795

890

1.39

-3.89

-5.62

1.73

-3.69

-5.75

24.4/24.7/26.0

NaO2

709

784

856

1.45

-3.78

-5.49

1.75

-3.71

-5.77

18.7/0.8/23.5

NaO3

709

790

864

1.44

-3.79

-5.60

1.80

-3.70

-5.76

11.1/10.9/42.7

  1. aCalculated from Egopt = 1240/λonset.
  2. bCalculated from CV curves.
  3. cObtained from DFT calculations.