Molecular Structure and Electronic Properties of Porphyrin-Thiophene-Perylene Using Quantum Chemical Calculation

Figure 6

UV-visible spectra of the free-base porphyrin, perylene, PTP compound (R = R′ = –H), and the four newly designed derivatives which provide a significantly lower energy gap, relative to those of the PTP compounds, (marked as bold characters in Table 2).

(a) Porphyrin

(b) Perylene

(c) PTP

(d) PTP bearing R=−OCH₃

(e) PTP bearing R=−OH

(f) PTP bearing R=−NH₂

(g) PTP bearing R = –N(CH₃)₂