Novel peripherally substituted zinc phthalocyanine: synthesis, characterization, investigation of photophysicochemical properties and theoretical study
The new thiohexanoic acid substituted zinc phthalocyanine was synthesized and characterized by FT-IR, 1H–NMR, electronic spectroscopy, and mass spectrometry as well as DFT calculation studies. The photochemical properties (singlet-oxygen quantum yields and photodegradation quantum yields) and photophysical properties (fluorescence quantum yields and fluorescence behavior) of the compound were studied in dimethylsulfoxide (DMSO), dimethylformamide (DMF) and tetrahydrofuran (THF). Singlet-oxygen quantum yields ranged from 0.29 to 0.43. However, energy-minimized structure, vibrational frequency, electronic distribution and molecular orbitals were obtained by DFT calculations which were supported by experimental results.
Publisher URL: http://www.tandfonline.com/doi/full/10.1080/00958972.2017.1377340
DOI: 10.1080/00958972.2017.1377340
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