Table 7 The dipole moment (µtot), 1st order (αtot), 2nd order (βtot) and 3rd order NLO (γtot) values of FICR and FICD1-FICD5.

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

Compounds

µtot

 < α > (× 10−22)

βtot (× 10−27)

γtot (× 10−32)

FICR

17.87

2.61

6.42

8.14

FICD1

14.31

2.69

5.70

7.99

FICD2

19.41

2.86

8.43

13.2

FICD3

16.20

2.73

6.61

9.35

FICD4

17.59

2.76

5.85

8.16

FICD5

19.76

2.88

8.35

13.0

  1. Dipole-moment = Debye (D); linear and nonlinear = e.s.u.
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