Synthesis, characterization and theoretical studies of novel phthalocyanine complexes

• A new class of metal-free and metal Pc bearing dithiole substituents were synthesized.
• Theoretical calculations, using DFT, were performed.
• The photochemical properties of these compounds were investigated.
• The effect of the metal on the planarity of Pc examined in theoretical structures.

A new class of metal-free and metallophthalocyanines (M = Zn, Cd) bearing 5,6-dihydro-1,4-dithiin-2,3-dithiole substituents on peripheral positions were synthesized and fully characterized. The electrochemical and photochemical properties of these compounds were investigated. DFT calculations were also performed and the results supported the corresponding experimental.

New class of metal-free and metallophthalocyanines (M = Zn, Cd) bearing 5,6-dihydro-1,4-dithiin-2,3-dithiole substituents peripheral positions were synthesized. The photochemical properties of these compounds were investigated and associated with aggregation type in each case. Theoretical calculations, using DFT, were also performed in order to investigate the possible identities of the new molecules. The effect of central metal on the planarity of Pc core was also examined.Figure optionsDownload as PowerPoint slide