Synthesis of Novel Derivatives of Carbazole-Thiophene, Their Electronic Properties, and Computational Studies

Table 2

Oxidation potential () and onset () by cyclic voltammetry in DMF (0.05 mol L⁻¹ n-Bu₄NPF₆), and optical HOMO-LUMO gaps ().

	(V)	(V)	HOMO (eV)	LUMO (eV)	(eV)
P1	+1.04	+0.89	, [41]		3.44, 3.47 [41]
P2	+1.13	+0.90	, [41]		3.52, 3.51 [41]
P3	+1.04	+0.82			3.53
P4	+1.16	+0.90			3.29
P5	+1.41	+1.09			3.33
P6	+1.44	+1.14			3.34
P7	+1.28	+0.92			3.18
P8	+1.38	+1.05			3.16
P9	+1.44	+1.19			3.00

All potentials are given versus the Fc⁺/Fc couple used as the external standard; the scan rate is 100 mV s⁻¹. The values are obtained from UV/Vis absorption onset . The values are those deduced from the values according to the following equation: HOMO =  eV [42, 43]. Estimated from the HOMO values and the optical band gap .