dc.contributor.author | Omurtag Özgen, Pınar Sinem | |
dc.contributor.author | Durmaz, Hakan | |
dc.contributor.author | Parlak, Cemal | |
dc.contributor.author | Alver, Özgür | |
dc.contributor.author | Bağlayan, Özge | |
dc.date.accessioned | 2020-07-27T11:18:22Z | |
dc.date.available | 2020-07-27T11:18:22Z | |
dc.date.issued | 2020 | en_US |
dc.identifier.citation | Omurtag 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.2020.127943 | en_US |
dc.identifier.issn | 0022-2860 | |
dc.identifier.issn | 1872-8014 | |
dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2020.127943 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12511/5612 | |
dc.description.abstract | Non-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.iso | eng | en_US |
dc.publisher | Elsevier | en_US |
dc.rights | info:eu-repo/semantics/embargoedAccess | en_US |
dc.subject | Non-Covalent Interactions | en_US |
dc.subject | Polyester | en_US |
dc.subject | Pyrene | en_US |
dc.subject | SWCNTs | en_US |
dc.subject | DFT | en_US |
dc.title | Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study | en_US |
dc.type | article | en_US |
dc.relation.ispartof | Journal of Molecular Structure | en_US |
dc.department | İstanbul Medipol Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümü, Analitik Kimya Ana Bilim Dalı | en_US |
dc.identifier.volume | 1209 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.identifier.doi | 10.1016/j.molstruc.2020.127943 | en_US |
dc.identifier.wosquality | Q3 | en_US |
dc.identifier.scopusquality | Q2 | en_US |