Table 6 Calculated Eb FICR and FICD1-FICD5 compounds.

From: A first principles based prediction of electronic and nonlinear optical properties towards cyclopenta thiophene chromophores with benzothiophene acceptor moieties

Compounds

EH–L

Eopt

Eb

FICR

1.98

1.61

0.37

FICD1

1.92

1.54

0.38

FICD2

1.73

2.30

−0.57

FICD3

1.85

1.49

0.36

FICD4

1.91

2.36

−0.45

FICD5

1.75

2.33

−0.58

  1. Units in eV.
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