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Synthesis of tetra-substituted metallophthalocyanines: Spectral, structural, computational studies and investigation of their photophysical and photochemical properties

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dc.contributor.authorGuzel, Emre
dc.contributor.authorGunsel, Armagan
dc.contributor.authorTuzun, Burak
dc.contributor.authorAtmaca, Goknur Yasa
dc.contributor.authorBilgicli, Ahmet T.
dc.contributor.authorErdogmus, Ali
dc.contributor.authorYarasir, M. Nilufer
dc.date.accessioned2026-06-27T14:22:48Z
dc.date.issued2019
dc.description.abstractThis work presents the synthesis of peripherally and non-peripherally tetra-substituted metallophthalocyanines (6-14) containing the 2-(3,4-dimethoxyphenyl)ethanol group. The synthesized compounds were characterized by standard spectroscopy methods. The ligands of the metallophthalocyanines were investigated by quantum chemical calculations. The quantum chemical parameters of these ligands (1 and 2) such as the HOMO, LUMO and chemical hardness were calculated by the B3lyp, HF and M062x methods. The Delta G value of the metal complexes of the ligands were calculated with the obtained results. In addition, photophysical (fluorescence quantum yields) and photochemical (singlet oxygen generation and photodegradation under light irradiation) properties of newly synthesized phthalocyanines were investigated in DMSO solutions, comparatively. (C) 2018 Elsevier Ltd. All rights reserved.en
dc.description.sponsorshipSakarya University [BAP-2017-02-04-013]
dc.description.urihttps://doi.org/10.1016/j.poly.2018.10.072
dc.identifier.doi10.1016/j.poly.2018.10.072
dc.identifier.eissn1873-3719
dc.identifier.endpage324
dc.identifier.issn0277-5387
dc.identifier.startpage316
dc.identifier.urihttps://hdl.handle.net/20.500.14981/59929
dc.identifier.volume158
dc.identifier.wos000458228500038
dc.language.isoeng
dc.publisherPERGAMON-ELSEVIER SCIENCE LTD
dc.relation.ispartofPOLYHEDRON
dc.subjectPhthalocyanine
dc.subjectSynthesis
dc.subjectComputational studies
dc.subjectPhotosensitizer
dc.subjectPhotochemistry
dc.subjectMOLECULAR-DYNAMICS SIMULATION
dc.subjectMICROWAVE-ASSISTED SYNTHESIS
dc.subjectCORROSION-INHIBITORS DFT
dc.subjectLANGMUIR-BLODGETT-FILMS
dc.subjectTHEORETICAL EVALUATION
dc.subjectMETAL-FREE
dc.subjectBASE-PAIR
dc.subjectPHTHALOCYANINES
dc.subjectDERIVATIVES
dc.subjectWATER
dc.subjectChemistry
dc.subjectCrystallography
dc.titleSynthesis of tetra-substituted metallophthalocyanines: Spectral, structural, computational studies and investigation of their photophysical and photochemical properties
dc.typeArticle
dspace.entity.typePublication
local.import.sourceWOS

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