Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study

Basit Öğe Kaydı
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.issued2020
dc.departmentİstanbul Medipol Üniversitesi, Eczacılık Fakültesi, Temel Eczacılık Bilimleri Bölümü, Analitik Kimya Ana Bilim Dalı
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.
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.2020.127943
dc.identifier.doi10.1016/j.molstruc.2020.127943
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://dx.doi.org/10.1016/j.molstruc.2020.127943
dc.identifier.urihttps://hdl.handle.net/20.500.12511/5612
dc.identifier.volume1209
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/embargoedAccess
dc.subjectNon-Covalent Interactions
dc.subjectPolyester
dc.subjectPyrene
dc.subjectSWCNTs
dc.subjectDFT
dc.titleNon-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study
dc.typeArticle

Dosyalar

Orijinal paket
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
Omurtag Özgen, Pınar Sinem-2020.pdf
Boyut:
1.52 MB
Biçim:
Adobe Portable Document Format
Açıklama:
Tam Metin / Full Text
İndir
Lisans paketi
Listeleniyor 1 - 1 / 1
Küçük Resim Yok
İsim:
license.txt
Boyut:
1.44 KB
Biçim:
Item-specific license agreed upon to submission
Açıklama:
İndir

Koleksiyon

Eczacılık Fakültesi Makale Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu