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dc.contributor.authorOmurtag Özgen, Pınar Sinem
dc.contributor.authorDurmaz, Hakan
dc.contributor.authorParlak, Cemal
dc.contributor.authorAlver, Özgür
dc.contributor.authorBağlayan, Özge
dc.date.accessioned2020-07-27T11:18:22Z
dc.date.available2020-07-27T11:18:22Z
dc.date.issued2020en_US
dc.identifier.citationOmurtag Özgen, P. S., Durmaz, H., Parlak, C., Alver, Ö. ve Bağlayan, Ö. (2020). Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study. Journal of Molecular Structure, 1209. https://dx.doi.org/10.1016/j.molstruc.2020.127943en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://dx.doi.org/10.1016/j.molstruc.2020.127943
dc.identifier.urihttps://hdl.handle.net/20.500.12511/5612
dc.description.abstractNon-covalent attachment onto single-walled carbon nanotubes (SWCNTs) by protecting nanotubes' intrinsic properties has an important role in development of hybrid composite materials. Herein, we present non-covalent functionalization of SWCNTs with pyrene-containing novel polyester. The preparation of polyester involving electron deficient internal alkyne units was achieved by an esterification reaction between acetylene dicarboxylic acid and 1,4-butandiol. Subsequently, pyren-1-ylmethyl 3-azidopropanoate was incorporated into the polyester via the 1,3-dipolar cycloaddition reaction at a moderately low temperature in 1,4-dioxane yielding pyrene-pendant polyester (PE-Py). Finally, PE-Py was physically loaded on SWCNTs under mild conditions at ambient temperature. Characterization processes were thoroughly carried out by H-1 NMR, GPC, TGA, FT-IR and HR-TEM analyses for both polymer and modified-SWCNTs. In this work we report the first theoretical study of the physically adsorption of pyrene-pendant polyesters on SWCNTs using density functional theory (DFT) calculations to support experimental results. Our study is promising to combine both experimental and theoretical study on SWCNTs' functionalization.en_US
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.rightsinfo:eu-repo/semantics/embargoedAccessen_US
dc.subjectNon-Covalent Interactionsen_US
dc.subjectPolyesteren_US
dc.subjectPyreneen_US
dc.subjectSWCNTsen_US
dc.subjectDFTen_US
dc.titleNon-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported studyen_US
dc.typearticleen_US
dc.relation.journalJournal of Molecular Structureen_US
dc.departmentİstanbul Medipol Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümü, Analitik Kimya Ana Bilim Dalıen_US
dc.identifier.volume1209en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1016/j.molstruc.2020.127943en_US


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