Molecular Structure and Electronic Properties of Porphyrin-Thiophene-Perylene Using Quantum Chemical Calculation
Figure 1
Two-dimensional structure of the PTP sensitizer compound (R = R′ = –H) and its derivatives where (i) R = –H, and R′ = –H, –CH3, –OCH3, –OH, –NH2, –N(CH3)2, –CN, or –NO2; (ii) R = –H, –CH3, –OCH3, –OH, –NH2, –N(CH3)2, –CN, or –NO2; and R′ = –H; (iii) R = R′ = –H, –CH3, –OCH3, –OH, –NH2, –N(CH3)2, –CN, or –NO2. The torsion angles, and , were defined by 1-2-3-4 and 1-5-6-7, respectively.
