Study of Solution Polymerization of Styrene in the Presence of Poly(ethylene glycol)-RAFT Agents Possessing Benzoyl Xanthate Derivatives

Kartal, Baris; Yıldıko, Ümit; Ozturk, Soner; Ata, Ahmet Çağrı; Čakmak, İsmail

doi:10.1080/10601325.2014.967096

Cited by 11 publications

(5 citation statements)

References 31 publications

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“…The most important goal of CRP techniques is to produce polymer materials with low heterogeneity index [42]. The narrow molecular weight distribution is the ratio of the molecular weight (M w ) by weight to the molecular weight (M n ) by number (Đ < 1.1).…”

Section: Resultsmentioning

confidence: 99%

Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound

2020

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In this study, the macromolecular design was performed via interchange of xanthates (MADIX) polymerization. The macro RAFT/MADIX agent containing the structure of polytetrahydrofuran (PTHF) (average Mn ~ 1000 g/mol) was synthesized to use in the polymerization. PS-b-PTHF-b-PS triblock copolymer was obtained by styrene-controlled radical polymerization using the RAFT/MADIX agent. The plot of ln [M] o /[M] versus monomer concentration versus polymerization time exhibits first-order kinetic behavior. Block copolymer formation has a controlled character. The formation of the narrow molecular weight polymer controlled by the styrene's RAFT/MADIX polymerization is confirmed by the increase in the polymerization time of the molecular weight. The results are in good agreement with theoretical values. Block copolymers having a narrow molecular weight distribution and a predetermined average molecular weight have been obtained using this polymerization process. The synthesized RAFT/MADIX agents, polymer, and copolymers were characterized by NMR and FT-IR spectroscopy, GPC, and differential scanning calorimetry. Based on the vibration analysis, the thermodynamic properties of the compound were also calculated. Optimized structure, frontier molecular orbitals (HOMO and LUMO) and global reactivity descriptors were analyzed by DFT calculations. As a result of the DFT study with trimer and hexamer; although the chain length is increased, the energy parameters obtained are very proximate to each other.

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Section: Resultsmentioning

confidence: 99%

Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound

2020

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“…A series of difunctional xanthate Macro RAFT agents using PEG-400, PEG-600 were prepared as described by Kartal et al, then synthesized according to the reaction given in Fig.1. The overall reaction of the synthesized xanthate Macro RAFT agents is shown in Fig 1. (Kartal et al, 2014) PEG-400 4-chlorobenzoyl Chloride Macro Xanthate RAFT Agent : 1 H-NMR (CDCl3, δ, ppm): 8.0-7.6 (4H, ArH), 4.4 (2H, -OCH2), 3.7-3.4 (4H, -CH2CH2-), 13 C-NMR (CDCl3, δ, ppm): 168 (1C, -C=S), 164 (1C, C=O), 143 (1C, C-CH3,), 133-127 (6C, Ar), 72 (2C, O-CH2), 60 (2C, -CH2CH2-). FT-IR (n, cm-1): 3069 (-C-H, Ar), 1674 (CHO) 1086 (-C=S).…”

Section: Synthesis Of Difunctional Macro Xanthatementioning

confidence: 99%

Synthesis of PMMA-b-PEG-b- PMMA by controlled Polymerization Using Macro-RAFT Agents

BAĞLAN>

Yıldıko

Čakmak

et al. 2018

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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In this work controlled radical polymerization (CRP) of methyl methacrylate was carried out in the presence of the Poly(ethylene glycol)(PEG) xanthate reversible addition fragmentation (RAFT) chain transfer agent designated as (CTA 1) and (CTA 2). Firstly, PEGs having different molecular weights (400 and 600 g/mol) were reacted KOH and CS 2 and the terminated 4-chloro benzoyl chloride to obtain PEG-xathates. RAFT agent possessing PEG chain was used in the RAFT polymerization of MMA to yield PMMA-b-PEG-b-PMMA tri-block copolymers which can be used in various potential applications. With the gravimetric follow of the reaction, the control mechanism works well and the molecular weight has grown linearly. The structures of the synthesized macro RAFT agents and polymers were characterized by 1 H-NMR, 13 C-NMR and FT-IR spectroscopic methods.

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“…The radical polymerization process of a wide variety of monomers can be controlled by using RAFT (Opiyo and Jin 2021;Corrigan et al 2020). Basically, the RAFT technique can regulate most of the monomers that can be polymerized by radical polymerization (Kartal et al 2014). The type of monomers used in RAFT polymerization determines the RAFT agent to be used (Yildiko, Ata, and Cakmak 2020).…”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent

GÖREN>¹,

BAĞLAN>²,

Čakmak

2022

Iğdır Üniversitesi Fen Bilimleri Enstitüsü Dergisi

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In this study, quantum chemical studies of diethanolamine dithiocarbamate (DADC) RAFT compound were carried out. For this purpose, the composite was optimized by using the DFT / B3LYP method 6-311G and the B3PW91 method SDD basis set. By using the optimized structure obtained according to the GIAO method, 1H and 13C NMR chemical shift values in the gas phase were calculated. According to the results obtained, it was seen that the theoretical data were coherent with the experimental data. In addition, in the theoretical part of the study, the FT-IR frequency values of the compound synthesized by using the same methods and basic set were compared experimentally and theoretically. In addition, the structure details and analysis of molecules, electronic properties such as HOMO and LUMO energies, molecular electrostatic potential (MEP) and thermodynamic properties have been performed. The electric dipole moment (μ) and the initial hyperpolarizability (β) values of the studied molecule were calculated by using ab initio quantum mechanical calculations. In addition, the calculated results show that the (DADC) molecule can have nonlinear optical (NLO) behavior with nonzero values. Neutral Band Orbital (NBO) analysis has been calculated with DFT / B3PW91/SDD basis set.

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Study of Solution Polymerization of Styrene in the Presence of Poly(ethylene glycol)-RAFT Agents Possessing Benzoyl Xanthate Derivatives

Cited by 11 publications

References 31 publications

Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound

Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound

Synthesis of PMMA-b-PEG-b- PMMA by controlled Polymerization Using Macro-RAFT Agents

Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent

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