Table 2 Molecular structures of the synthesized triazine compounds, their calculated LUMO level, predicted μ_e, experimental μ_e, T_g(2D), T_g(3D), and experimental T_g.

LUMO level/eV

 − 1.88

 − 1.86

 − 1.86

 − 1.90

Predicted μ_e × 10⁻⁶/cm² V⁻¹ s⁻¹

20.8

19.7

22.8

13.3

Experimental μ_e × 10⁻⁶/cm² V⁻¹ s⁻¹

26.0

19.6

34.9

17.5

Predicted T_g(2D)/ °C

122

130

127

121

Predicted T_g(3D)/ °C

121

122

137

129

Experimental T_g/ °C

120

129

158

132

LUMO level/eV

 − 1.85

 − 1.85

 − 1.86

 − 1.84

 − 1.91

Predicted μ_e × 10⁻⁶/cm² V⁻¹ s⁻¹

10.6

12.6

11.3

13.9

14.8

Experimental μ_e × 10⁻⁶/cm² V⁻¹ s⁻¹

14.0

16.5

24.7

6.4

4.3

Predicted T_g(2D)/ °C

132

127

125

126

128

Predicted T_g(3D)/ °C

130

121

122

121

122

Experimental T_g/ °C

137

116

116

120

118