3. RESULTS AND DISCUSSION
To study the effect of five heterocyclic rings and amino-ethyl-amino
linker on the structure, electronic, and photophysical properties of
MTPA-Pyc, we performed DFT and TDDFT calculations. The results on the
structural changes are presented in section 3.1. The electronic
properties, i.e. frontier orbital contours and energies, and the UV-Vis
spectra of the molecules are presented in section 3.2 and 3.3,
respectively.