Theoretical Investigation on the Electronic and Optical Properties of Poly(fluorenevinylene) Derivatives as Light-Emitting Materials

Table 3

Ionization potentials (IPs) and electron affinities (EAs) for PFV-alt-PDONV and PFV-alt-PDIH-PPV by B3LYP/6-31G(d) (eV) (𝑛=1-3).

Oligomer	IP(v)	EA(v)
(PFV-alt-PDONV)𝑛
𝑛=1	6.28	0.47
𝑛=2	5.75	1.02
𝑛=3	5.48	1.24
𝑛=∞	5.12	1.61
(PFV-alt-PDIH-PPV)𝑛
𝑛=1	6.13	0.46
𝑛=2	5.50	1.11
𝑛=3	5.40	1.37
𝑛=∞	4.98	1.80