Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.13087/1487
Title: Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study
Authors: Özgen, Pınar Sinem Omurtag
Durmaz, Hakan
Parlak, Cemal
Alver, Özgür
Bağlayan, Özge
Keywords: Non-covalent interactions
Polyester
Pyrene
SWCNTs
DFT
Issue Date: 2020
Publisher: Elsevier
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. (C) 2020 Elsevier B.V. All rights reserved.
URI: https://doi.org/10.1016/j.molstruc.2020.127943
https://hdl.handle.net/20.500.13087/1487
ISSN: 0022-2860
1872-8014
Appears in Collections:Scopus İndeksli Yayınlar Koleksiyonu
WoS İndeksli Yayınlar Koleksiyonu

Show full item record

CORE Recommender

WEB OF SCIENCETM
Citations

3
checked on Jun 22, 2022

Page view(s)

20
checked on Oct 3, 2022

Google ScholarTM

Check

Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.