A comparative study of the two-photon absorption properties of a new octupolar molecule – truxenone derivative and relative molecules

Using density-functional theory and ZINDO methods, we carry out a comparative study of the two-photon absorption (TPA) properties of a new octupolar compound – truxenone derivative and relative molecules. The results indicate that the octupolar compounds have significantly increased the TPA cross-section of molecules and at the same time maintain the high transparency. The TPA cross-section value increases as the electron-accepting ability of the core in octupolar chromophores increases. It is notable that the truxenone derivative has more predominant TPA properties than the conventional octupolar compounds and so worth investigating further.