No. of Monomers Electronic transition λmax (nm) E(exc)(ev) O.S MO/Character Coefficient 1 S0→S1 235.05 5.28 0.0455 HOMO→LUMO 0.31 S0→S2 233.76 5.30 0.0003 HOMO-1→LUMO 0.99 S0→S3 200.24 6.19 0.2639 HOMO→LUMO 0.89 2 S0→S1 276.55 4.48 0.4035 HOMO→LUMO 0.97 S0→S2 268.21 4.62 0.0405 HOMO→LUMO+1 0.96 S0→S3 251.66 4.93 0.0047 HOMO-1→LUMO 0.65 3 S0→S1 317.70 3.90 0.4236 HOMO→LUMO 0.981 S0→S2 290.57 4.27 0.2339 HOMO-1→LUMO 0.23 S0→S3 276.21 4.49 0.0286 HOMO→LUMO+2 0.97 4 S0→S1 345.36 3.59 0.4789 HOMO→LUMO 0.98 S0→S2 320.70 3.87 0.3947 HOMO→LUMO+1 0.95 S0→S3 303.01 4.09 0.1178 HOMO→LUMO+2 0.95 5 S0→S1 380.51 3.29 0.7449 HOMO→LUMO 0.97 S0→S2 353.42 3.51 0.0698 HOMO→LUMO+1 0.96 S0→S3 345.94 3.58 0.0627 HOMO→LUMO+2 0.96

Table 5: Electronic transition data obtained by the TD/DFT-B3LYP/6-31G (d) calculation for MPC.