1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties

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dc.contributor.authorZorlu, Yunus
dc.contributor.authorKumru, Ufuk
dc.contributor.authorIsci, Umit
dc.contributor.authorDivrik, Burcin
dc.contributor.authorJeanneau, Erwann
dc.contributor.authorAlbrieux, Florian
dc.contributor.authorDede, Yavuz
dc.date.accessioned2025-10-29T11:20:10Z
dc.date.issued2015
dc.departmentFakülteler, Temel Bilimler Fakültesi, Kimya Bölümü
dc.description.abstractThe effect of phthalocyanine macrocycle distortion on its spectroscopic and packing properties is studied, by comparing two phthalocyanines octa-non-peripherally substituted by alkanethiols of different bulkiness (n-hexyl and tert-butyl). Their X-ray structures evidence their core shape, respectively planar and strongly distorted, inducing a 55 nm shift of their maximum absorption wavelength. Comparison of frontier orbital energies revealed that this distortion decreases the conjugation potency of the benzo rings to the central pyrrolic rings. Also the tert-butyl derivative presents a MOF-like porous crystalline assembly with 22.2% void.
dc.description.sponsorshipScientific and Technological Research Council of Turkey TUBITAK (PIA Turkey-France bilateral project Bosphorus) [109M356]
dc.description.sponsorshipTUBITAK [110T647]
dc.description.sponsorshipThe Scientific and Technological Research Council of Turkey TUBITAK (PIA Turkey-France bilateral project Bosphorus 109M356) is gratefully acknowledged. Y.D. thanks TUBITAK for support of theoretical studies (project 110T647).
dc.identifier.doi10.1039/c5cc01085c
dc.identifier.endpage6583
dc.identifier.issn1359-7345
dc.identifier.issn1364-548X
dc.identifier.issue30
dc.identifier.orcid0000-0003-2811-1872
dc.identifier.orcid0000-0003-4854-8422
dc.identifier.orcid0000-0002-6285-0524
dc.identifier.orcid0000-0002-0388-8338
dc.identifier.pmid25773864
dc.identifier.scopus2-s2.0-84926308516
dc.identifier.scopusqualityQ1
dc.identifier.startpage6580
dc.identifier.urihttps://doi.org/10.1039/c5cc01085c
dc.identifier.urihttps://hdl.handle.net/20.500.14854/8443
dc.identifier.volume51
dc.identifier.wosWOS:000352269000027
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofChemical Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20251020
dc.subjectSubstituted Phthalocyanines
dc.subjectElectronic-Properties
dc.subjectCrystal-Structure
dc.subjectMain Absorption
dc.subjectMetal-Free
dc.subjectX-Ray
dc.subjectCoordination
dc.subjectFluorescence
dc.subjectChemistry
dc.subjectDyes
dc.title1,4,8,11,15,18,22,25-Alkylsulfanyl phthalocyanines: effect of macrocycle distortion on spectroscopic and packing properties
dc.typeArticle

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