Effects of a Central Atom and Peripheral Substituents on Photoinduced Electron Transfer in the Phthalocyanine-Fullerene Donor-Acceptor Solution-Processable Dyads

ABSTRACT: For understanding the physical chemistry behind improving photoelectrochemical charge separation parameters and providing solution-processability, multiple peripheral substitution by 3,5-di-tert-butylphenoxy groups was realized in design of donor-acceptor phthalocyanine-fullerene systems with two different central atoms, together with obtaining and analyzing their UV-vis/IR/1H NMR/fluorescence/femtosecond transient absorption spectra, self-assembly thermodynamics, electrochemistry, and DFT-calculated (the B3LYP+D3BJ/6-31G level of theory) geometric/electronic structures. The self-assembly in (octakis(3,5-di-tert-butylphenoxy)phthalocyaninato)cobalt(II)/manganese(III) acetate - 1′-N-methyl-2′-(1H-imidazol-1-yl)-phenylpyrrolidino[3',4':1,2][60]fullerene – toluene system, mechanism of which depends on a central metal atom results into the formation of phthalocyanine-fullerene donor-acceptor dyads with the relatively high bonding constants and an efficient property of photoinduced charge separation....