The new ball-type zinc phthalocyanine with S-S bridge; Synthesis, computational and photophysicochemical properties

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dc.authoridGunsel, Armagan/0000-0003-1965-1017
dc.authoridYarasir, Meryem Nilufer/0000-0002-7327-7137
dc.authoridBILGICLI, Ahmet Turgut/0000-0002-4144-7357
dc.authoridGenc Bilgicli, Hayriye/0000-0001-6909-316X
dc.authoridZengin, Mustafa/0000-0002-0243-1432
dc.authoridPiskin, Hasan/0000-0001-9927-4930
dc.authoridTUZUN, BURAK/0000-0002-0420-2043
dc.contributor.authorBilgicli, Ahmet T.
dc.contributor.authorBilgicli, Hayriye Genc
dc.contributor.authorGunsel, Armagan
dc.contributor.authorPiskin, Hasan
dc.contributor.authorTuzun, Burak
dc.contributor.authorYarasir, M. Nilufer
dc.contributor.authorZengin, Mustafa
dc.date.accessioned2024-10-26T18:07:40Z
dc.date.available2024-10-26T18:07:40Z
dc.date.issued2020
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstractIn this study, the starting compound 4,4'-disulfanediyldiphthalonitrile (1) and its ball-type zinc phthalocyanine (2) were synthesized and characterized by standard spectroscopic methods. The molecular structure and supramolecular dynamics of the compound (1) have been investigated by the analysis of the single crystal X-ray diffraction data. To further understand the intermolecular interactions of compound (1), the Hirshfeld surface analysis has been carried out. The compound (1) and (2) were investigated by quantum chemical calculations. Their quantum chemical parameters such as highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), chemical hardness were performed by B3lyp, HF, M062x method. The Delta G values of the compound (1) and (2) were calculated by using the obtained results. The calculated Infrared spectroscopy, Nuclear Magnetic Resonance, and UV-vis spectra of the compounds were investigated. In addition, photophysical (fluorescence quantum yields) and photochemical (singlet oxygen generation and photodegradation under light irradiation) properties of newly synthesized ball-type zinc phthalocyanine (2) were investigated in dimethyl sulfoxide (DMSO) solutions. We obtained very high singlet oxygen quantum yields as 0.89, suggesting its potential as photosensitizer in PDT treatment.
dc.description.sponsorshipSakarya University [2018-3-12-195]
dc.description.sponsorshipThis research were made possible by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and supported by Research Fund of Sakarya University (Project Number
dc.identifier.doi10.1016/j.jphotochem.2019.112287
dc.identifier.issn1010-6030
dc.identifier.issn1873-2666
dc.identifier.scopus2-s2.0-85076002864
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.jphotochem.2019.112287
dc.identifier.urihttps://hdl.handle.net/20.500.12418/29630
dc.identifier.volume389
dc.identifier.wosWOS:000508750600009
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Sa
dc.relation.ispartofJournal of Photochemistry and Photobiology A-Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectBall-type phthalocyanine
dc.subjectSingle crystal
dc.subjectQuantum chemical calculation
dc.subjectPhotochemical and photophysical
dc.titleThe new ball-type zinc phthalocyanine with S-S bridge; Synthesis, computational and photophysicochemical properties
dc.typeArticle

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