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

Year 2022, Volume: 12 Issue: 3, 1677 - 1689, 01.09.2022

Kenan Gören Mehmet Bağlan İsmail Çakmak

https://doi.org/10.21597/jist.1103750

Abstract

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.

Keywords

GIAO DFT NLO DADC ab-initio

References

  • Ağırtaş, Mehmet Salih, Derya Güngördü Solğun, Ümit Yildiko, and Abdullah Özkartal. 2020. 'Design of novel substituted phthalocyanines; synthesis and fluorescence, DFT, photovoltaic properties', Turkish journal of chemistry, 44: 1574-86.
  • Akman, Murat, Ahmet Cagri Ata, Umit Yildiko, and İsmail Çakmak. 2020. 'Molecular structure, frontier molecular orbitals, NBO, MESP and thermodynamic properties of 5,12-dibromo perylene with DFT calculation methods', International Journal of Chemistry and Technology, 4: 49-59.
  • Altun, Kenan , Ümit Yildiko, Aslihan Aycan Tanriverdi, and Ismail Cakmak. 2021. 'Structural and spectral properties of 4-(4-(1-(4-Hydroxyphenyl)-1-phenylethyl)phenoxy)phthalonitrile: Analysis by TD-DFT method, ADME analysis and docking studies', International Journal of Chemistry and Technology, 2: 147-55.
  • Baglan, Mehmet, Ümit Yildiko, İsmail Çakmak, and Ahmet Turan Tekeş. 2018. 'Synthesis of PMMA-b-PEG-b- PMMA by controlled Polymerization Using Macro-RAFT Agents', Journal of the Institute of Science and Technology, 8: 243-54.
  • Buvaneswari, M., R. Santhakumari, C. Usha, R. Jayasree, and Suresh Sagadevan. 2021. 'Synthesis, growth, structural, spectroscopic, optical, thermal, DFT, HOMO–LUMO, MEP, NBO analysis and thermodynamic properties of vanillin isonicotinic hydrazide single crystal', Journal of Molecular Structure, 1243: 130856.
  • Cabir, Beyza, Umit Yildiko, Mehmet Salih Ağırtaş, and Sabit Horoz. 2020. 'Computational DFT calculations, photovoltaic properties and synthesis of (2R, 3S)-2, 3, 4-trihydroxybutoxy substituted phthalocyanines', Inorganic and Nano-Metal Chemistry, 50: 816-27.
  • Corrigan, Nathaniel, Kenward Jung, Graeme Moad, Craig J. Hawker, Krzysztof Matyjaszewski, and Cyrille Boyer. 2020. 'Reversible-deactivation radical polymerization (Controlled/living radical polymerization): From discovery to materials design and applications', Progress in Polymer Science, 111: 101311.
  • Dwivedi, Apoorva, and Abhishek Kumar. 2021. 'Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods', Polycyclic Aromatic Compounds, 41: 387-99.
  • Fizer, Maksym, Mikhailo Slivka, Nataliya Korol, and Oksana Fizer. 2021. 'Identifying and explaining the regioselectivity of alkylation of 1,2,4-triazole-3-thiones using NMR, GIAO and DFT methods', Journal of Molecular Structure, 1223: 128973.
  • Gancheff, Jorge S., and Pablo A. Denis. 2015. 'Relative affinity of bambus[6]uril towards halide ions: A DFT/GIAO approach in the gas phase, and in the presence of the solvent employing discrete and discrete-continuum models', Computational and Theoretical Chemistry, 1064: 35-44.
  • Isravel, Antony Danish, Jebasingh Kores Jeyaraj, Sasitha Thangasamy, and Winfred Jebaraj John. 2021. 'DFT, NBO, HOMO-LUMO, NCI, stability, Fukui function and hole – Electron analyses of tolcapone', Computational and Theoretical Chemistry, 1202: 113296.
  • Janeoo, Shashi, Reenu, Amandeep Saroa, Rakesh Kumar, and Harminder Kaur. 2022. 'Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties', Journal of Molecular Structure, 1253: 132285.
  • Jin, Huixin, Jianxin Zhang, Wenyang Zhang, Youjian Zhang, Shiyu Ma, Yiqun Du, Jingyu Qin, and Qi Wang. 2022. 'Experimental studies and DFT calculations to predict atomic arrangements at twin boundaries and distribution behaviors of different solutes in complex intermetallics', Journal of Physics and Chemistry of Solids, 161: 110453.
  • Kartal, Baris, Umit Yildiko, Soner Ozturk, Ahmet C. Ata, and Ismail Cakmak. 2014. 'Study of Solution Polymerization of Styrene in the Presence of Poly(ethylene glycol)-RAFT Agents Possessing Benzoyl Xanthate Derivatives', Journal of Macromolecular Science, Part A, 51: 990-98.
  • Lohith, T. N., S. Shamanth, M. A. Sridhar, K. Mantelingu, and N. K. Lokanath. 2022. 'Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative', Journal of Molecular Structure, 1252: 132203.
  • Nageswari, G., Gene George, S. Ramalingam, and M. Govindarajan. 2018. 'Electronic and vibrational spectroscopic (FT-IR and FT-Raman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) and HOMO/LUMO/MEP analysis on the structure of l-serine methyl ester hydrogen chloride', Journal of Molecular Structure, 1166: 422-41.
  • Obot, I. B., D. D. Macdonald, and Z. M. Gasem. 2015. 'Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview', Corrosion Science, 99: 1-30.
  • Onchoke, Kefa K. 2021. '13C NMR chemical shift assignments of nitrated benzo[a]pyrenes based on two-dimensional techniques and DFT/GIAO calculations', Results in Chemistry, 3: 100099.
  • Opiyo, George, and Jianyong Jin. 2021. 'Recent progress in switchable RAFT agents: Design, synthesis and application', European Polymer Journal, 159: 110713.
  • Rahman, Sharifur, Malik Abdul Rub, Shamim Mahbub, Md Tuhinur R. Joy, Shahed Rana, and Md Anamul Hoque. 2022. 'Spectroscopic and DFT studies of the charge transfer complexation of iodine with aniline and its derivatives in carbon tetrachloride medium', Journal of Molecular Liquids, 351: 118667.
  • Sert, Yusuf, Sanae Lahmidi, Mohamed El Hafi, Halil Gökce, El Mokhtar Essassi, Abdelaziz Ejjoumamany, and Joel T. Mague. 2020. 'Spectral, DFT/B3LYP and molecular docking analyses on ethyl 2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)pent-4-enoate', Journal of Molecular Structure, 1206: 127680.
  • Sherin, D. R., and T. K. Manojkumar. 2020. 'Significance of five membered heterocycles in fine tuning of HOMO-LUMO gap of simple donor-acceptor system as organic solar cell material: A DFT approach', Materials Today: Proceedings, 33: 1229-33.
  • Shukla, Bindesh Kumar, and Umesh Yadava. 2022. 'DFT calculations on molecular structure, MEP and HOMO-LUMO study of 3-phenyl-1-(methyl-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine', Materials Today: Proceedings, 49: 3056-60.
  • Solğun, Derya Güngördü, Mehmet Salih Keskin, Ümit yıldıko, and Mehmet Salih Ağırtaş. 2020. 'DFT analysis and electronic properties, and synthesis of tetra (9-phenyl-9H-xanthen-9-yl) oxy peripheral-substituted zinc phthalocyanine', Chemical Papers, 74: 2389-401.
  • Solğun, Derya Güngördü, Ümit Yıldıko, and Mehmet Salih Ağırtaş. 2021. 'Synthesis, DFT Calculations, Photophysical, Photochemical Properties of Peripherally Metallophthalocyanines Bearing (2-(Benzo[d] [1,3] Dioxol-5-Ylmethoxy) Phenoxy) Substituents', Polycyclic Aromatic Compounds: 1-19.
  • Sucheta, M., A. G. Pramod, Mohamed Zikriya, K. Mohammed Salma, N. Venugopal, R. Chaithra, D. Harshitha, S. Amudan, C. G. Renuka, and Shiva Murthy. 2022. 'Frontier molecular orbital, molecular structure and Thermal properties of 2,4,6,8-tetramethyl-2,3,6,7-tetrahydro-s-indacene-1,5-dione using DFT calculation', Materials Today: Proceedings.
  • Tarchouna, S., I. Chaabane, and A. Ben Rahaiem. 2016. 'FT-IR and Raman spectra and vibrational investigation of bis (4-acetylanilinium) hexachlorostannate using DFT (B3LYP) calculation', Physica E: Low-dimensional Systems and Nanostructures, 83: 186-94.
  • Yildiko, Umit, Ahmet Çağri Ata, Aslihan Aycan Tanriverdİ, and İsmaİl Çakmak. 2021. 'Investigation of novel diethanolamine dithiocarbamate agent for RAFT polymerization: DFT computational study of the oligomer molecules', Bulletin of Materials TTScience, 44: 186.
  • Yildiko, Ümit, Ahmet Cagri Ata, and İsmail Cakmak. 2020. 'Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound', SN Applied Sciences, 2: 1691.
  • Zahedi, Hamid, and Nahid Farzi. 2022. 'The simulation of a green room-temperature ternary solution of water, methanol and 1-ethyl-3-methyl imidazolium chloride by all-atom Monte Carlo and DFT computational approaches', Journal of Molecular Liquids, 356: 118903.

Dietanol Amin Ditiyokarbamat RAFT Ajanının 1H ve 13C NMR Spektrumlarının Teorik İncelenmesi

Year 2022, Volume: 12 Issue: 3, 1677 - 1689, 01.09.2022

Kenan Gören Mehmet Bağlan İsmail Çakmak

https://doi.org/10.21597/jist.1103750

Abstract

Bu çalışmada, dietanolamin ditiyokarbamat RAFT bileşiğinin quantum kimyasal çalışmları yapılmıştır. Bu amaçla, bileşik DFT / B3LYP metodunun 6-311G ve B3PW91 metodunun SDD temel seti kullanılarak optimize edildi. GIAO yöntemine göre elde edilen optimize yapı kullanılarak gaz fazında 1H ve 13C NMR kimyasal kayma değerleri hesaplanmıştır. Elde edilen sonuçlara göre teorik verilerin deneysel verilerle uyumlu olduğu görülmüştür. Ayrıca çalışmanın teorik kısmında aynı yöntemler ve temel set kullanılarak sentezlenen bileşiğin FT-IR frekans değerleri deneysel ve teorik olarak karşılaştırılmıştr. Ayrıca molekülerin yapı detayları ve analizi, HOMO ve LUMO enerjileri gibi elektronik özellikler, moleküler elektrostatik potansiyel (MEP) ve termodinamik özellikler gerçekleştirilmiştir. İncelenen molekülün elektrik dipol momenti (μ) ve ilk hiperpolarize edilebilirliği (β), ab initio kuantum mekanik hesaplamalar kullanılarak tahmin edildi. Ayrıca hesaplanan sonuçlar dietanol amin dithiocarbamate (DADC) molekülünün sıfır olmayan değerlerle doğrusal olmayan optik (NLO) davranışa sahip olabileceğini göstermektedir. DADC Mulliken atomik yükleri hesaplandı. Nötral Band Orbital (NBO) analysis DFT / B3PW91/SDD temel seti hesaplanmıştır.

Keywords

GIAO DFT NLO DADC ab-initio

References

  • Ağırtaş, Mehmet Salih, Derya Güngördü Solğun, Ümit Yildiko, and Abdullah Özkartal. 2020. 'Design of novel substituted phthalocyanines; synthesis and fluorescence, DFT, photovoltaic properties', Turkish journal of chemistry, 44: 1574-86.
  • Akman, Murat, Ahmet Cagri Ata, Umit Yildiko, and İsmail Çakmak. 2020. 'Molecular structure, frontier molecular orbitals, NBO, MESP and thermodynamic properties of 5,12-dibromo perylene with DFT calculation methods', International Journal of Chemistry and Technology, 4: 49-59.
  • Altun, Kenan , Ümit Yildiko, Aslihan Aycan Tanriverdi, and Ismail Cakmak. 2021. 'Structural and spectral properties of 4-(4-(1-(4-Hydroxyphenyl)-1-phenylethyl)phenoxy)phthalonitrile: Analysis by TD-DFT method, ADME analysis and docking studies', International Journal of Chemistry and Technology, 2: 147-55.
  • Baglan, Mehmet, Ümit Yildiko, İsmail Çakmak, and Ahmet Turan Tekeş. 2018. 'Synthesis of PMMA-b-PEG-b- PMMA by controlled Polymerization Using Macro-RAFT Agents', Journal of the Institute of Science and Technology, 8: 243-54.
  • Buvaneswari, M., R. Santhakumari, C. Usha, R. Jayasree, and Suresh Sagadevan. 2021. 'Synthesis, growth, structural, spectroscopic, optical, thermal, DFT, HOMO–LUMO, MEP, NBO analysis and thermodynamic properties of vanillin isonicotinic hydrazide single crystal', Journal of Molecular Structure, 1243: 130856.
  • Cabir, Beyza, Umit Yildiko, Mehmet Salih Ağırtaş, and Sabit Horoz. 2020. 'Computational DFT calculations, photovoltaic properties and synthesis of (2R, 3S)-2, 3, 4-trihydroxybutoxy substituted phthalocyanines', Inorganic and Nano-Metal Chemistry, 50: 816-27.
  • Corrigan, Nathaniel, Kenward Jung, Graeme Moad, Craig J. Hawker, Krzysztof Matyjaszewski, and Cyrille Boyer. 2020. 'Reversible-deactivation radical polymerization (Controlled/living radical polymerization): From discovery to materials design and applications', Progress in Polymer Science, 111: 101311.
  • Dwivedi, Apoorva, and Abhishek Kumar. 2021. 'Molecular Docking and Comparative Vibrational Spectroscopic Analysis, HOMO-LUMO, Polarizabilities, and Hyperpolarizabilities of N-(4-Bromophenyl)-4-Nitrobenzamide by Different DFT (B3LYP, B3PW91, and MPW1PW91) Methods', Polycyclic Aromatic Compounds, 41: 387-99.
  • Fizer, Maksym, Mikhailo Slivka, Nataliya Korol, and Oksana Fizer. 2021. 'Identifying and explaining the regioselectivity of alkylation of 1,2,4-triazole-3-thiones using NMR, GIAO and DFT methods', Journal of Molecular Structure, 1223: 128973.
  • Gancheff, Jorge S., and Pablo A. Denis. 2015. 'Relative affinity of bambus[6]uril towards halide ions: A DFT/GIAO approach in the gas phase, and in the presence of the solvent employing discrete and discrete-continuum models', Computational and Theoretical Chemistry, 1064: 35-44.
  • Isravel, Antony Danish, Jebasingh Kores Jeyaraj, Sasitha Thangasamy, and Winfred Jebaraj John. 2021. 'DFT, NBO, HOMO-LUMO, NCI, stability, Fukui function and hole – Electron analyses of tolcapone', Computational and Theoretical Chemistry, 1202: 113296.
  • Janeoo, Shashi, Reenu, Amandeep Saroa, Rakesh Kumar, and Harminder Kaur. 2022. 'Computational investigation of bioactive 2,3-diaryl quinolines using DFT method: FT- IR, NMR spectra, NBO, NLO, HOMO-LUMO transitions, and quantum-chemical properties', Journal of Molecular Structure, 1253: 132285.
  • Jin, Huixin, Jianxin Zhang, Wenyang Zhang, Youjian Zhang, Shiyu Ma, Yiqun Du, Jingyu Qin, and Qi Wang. 2022. 'Experimental studies and DFT calculations to predict atomic arrangements at twin boundaries and distribution behaviors of different solutes in complex intermetallics', Journal of Physics and Chemistry of Solids, 161: 110453.
  • Kartal, Baris, Umit Yildiko, Soner Ozturk, Ahmet C. Ata, and Ismail Cakmak. 2014. 'Study of Solution Polymerization of Styrene in the Presence of Poly(ethylene glycol)-RAFT Agents Possessing Benzoyl Xanthate Derivatives', Journal of Macromolecular Science, Part A, 51: 990-98.
  • Lohith, T. N., S. Shamanth, M. A. Sridhar, K. Mantelingu, and N. K. Lokanath. 2022. 'Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative', Journal of Molecular Structure, 1252: 132203.
  • Nageswari, G., Gene George, S. Ramalingam, and M. Govindarajan. 2018. 'Electronic and vibrational spectroscopic (FT-IR and FT-Raman) investigation using ab initio (HF) and DFT (B3LYP and B3PW91) and HOMO/LUMO/MEP analysis on the structure of l-serine methyl ester hydrogen chloride', Journal of Molecular Structure, 1166: 422-41.
  • Obot, I. B., D. D. Macdonald, and Z. M. Gasem. 2015. 'Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview', Corrosion Science, 99: 1-30.
  • Onchoke, Kefa K. 2021. '13C NMR chemical shift assignments of nitrated benzo[a]pyrenes based on two-dimensional techniques and DFT/GIAO calculations', Results in Chemistry, 3: 100099.
  • Opiyo, George, and Jianyong Jin. 2021. 'Recent progress in switchable RAFT agents: Design, synthesis and application', European Polymer Journal, 159: 110713.
  • Rahman, Sharifur, Malik Abdul Rub, Shamim Mahbub, Md Tuhinur R. Joy, Shahed Rana, and Md Anamul Hoque. 2022. 'Spectroscopic and DFT studies of the charge transfer complexation of iodine with aniline and its derivatives in carbon tetrachloride medium', Journal of Molecular Liquids, 351: 118667.
  • Sert, Yusuf, Sanae Lahmidi, Mohamed El Hafi, Halil Gökce, El Mokhtar Essassi, Abdelaziz Ejjoumamany, and Joel T. Mague. 2020. 'Spectral, DFT/B3LYP and molecular docking analyses on ethyl 2-(5-methyl-1,2,4-triazolo[1,5-a]pyrimidin-7-yl)pent-4-enoate', Journal of Molecular Structure, 1206: 127680.
  • Sherin, D. R., and T. K. Manojkumar. 2020. 'Significance of five membered heterocycles in fine tuning of HOMO-LUMO gap of simple donor-acceptor system as organic solar cell material: A DFT approach', Materials Today: Proceedings, 33: 1229-33.
  • Shukla, Bindesh Kumar, and Umesh Yadava. 2022. 'DFT calculations on molecular structure, MEP and HOMO-LUMO study of 3-phenyl-1-(methyl-sulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine', Materials Today: Proceedings, 49: 3056-60.
  • Solğun, Derya Güngördü, Mehmet Salih Keskin, Ümit yıldıko, and Mehmet Salih Ağırtaş. 2020. 'DFT analysis and electronic properties, and synthesis of tetra (9-phenyl-9H-xanthen-9-yl) oxy peripheral-substituted zinc phthalocyanine', Chemical Papers, 74: 2389-401.
  • Solğun, Derya Güngördü, Ümit Yıldıko, and Mehmet Salih Ağırtaş. 2021. 'Synthesis, DFT Calculations, Photophysical, Photochemical Properties of Peripherally Metallophthalocyanines Bearing (2-(Benzo[d] [1,3] Dioxol-5-Ylmethoxy) Phenoxy) Substituents', Polycyclic Aromatic Compounds: 1-19.
  • Sucheta, M., A. G. Pramod, Mohamed Zikriya, K. Mohammed Salma, N. Venugopal, R. Chaithra, D. Harshitha, S. Amudan, C. G. Renuka, and Shiva Murthy. 2022. 'Frontier molecular orbital, molecular structure and Thermal properties of 2,4,6,8-tetramethyl-2,3,6,7-tetrahydro-s-indacene-1,5-dione using DFT calculation', Materials Today: Proceedings.
  • Tarchouna, S., I. Chaabane, and A. Ben Rahaiem. 2016. 'FT-IR and Raman spectra and vibrational investigation of bis (4-acetylanilinium) hexachlorostannate using DFT (B3LYP) calculation', Physica E: Low-dimensional Systems and Nanostructures, 83: 186-94.
  • Yildiko, Umit, Ahmet Çağri Ata, Aslihan Aycan Tanriverdİ, and İsmaİl Çakmak. 2021. 'Investigation of novel diethanolamine dithiocarbamate agent for RAFT polymerization: DFT computational study of the oligomer molecules', Bulletin of Materials TTScience, 44: 186.
  • Yildiko, Ümit, Ahmet Cagri Ata, and İsmail Cakmak. 2020. 'Synthesis, spectral characterization and DFT calculations of novel macro MADIX agent: mechanism of addition-fragmentation reaction of xanthate compound', SN Applied Sciences, 2: 1691.
  • Zahedi, Hamid, and Nahid Farzi. 2022. 'The simulation of a green room-temperature ternary solution of water, methanol and 1-ethyl-3-methyl imidazolium chloride by all-atom Monte Carlo and DFT computational approaches', Journal of Molecular Liquids, 356: 118903.
There are 30 citations in total.

Details

Primary Language English
Subjects Chemical Engineering
Journal Section Kimya / Chemistry
Authors

Kenan Gören 0000-0001-5068-1762

Mehmet Bağlan 0000-0002-7089-7111

İsmail Çakmak 0000-0002-3191-7570

Early Pub Date August 26, 2022
Publication Date September 1, 2022
Submission Date April 15, 2022
Acceptance Date July 20, 2022
Published in Issue Year 2022 Volume: 12 Issue: 3

Cite

APA Gören, K., Bağlan, M., & Çakmak, İ. (2022). Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent. Journal of the Institute of Science and Technology, 12(3), 1677-1689. https://doi.org/10.21597/jist.1103750
AMA Gören K, Bağlan M, Çakmak İ. Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent. J. Inst. Sci. and Tech. September 2022;12(3):1677-1689. doi:10.21597/jist.1103750
Chicago Gören, Kenan, Mehmet Bağlan, and İsmail Çakmak. “Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent”. Journal of the Institute of Science and Technology 12, no. 3 (September 2022): 1677-89. https://doi.org/10.21597/jist.1103750.
EndNote Gören K, Bağlan M, Çakmak İ (September 1, 2022) Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent. Journal of the Institute of Science and Technology 12 3 1677–1689.
IEEE K. Gören, M. Bağlan, and İ. Çakmak, “Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent”, J. Inst. Sci. and Tech., vol. 12, no. 3, pp. 1677–1689, 2022, doi: 10.21597/jist.1103750.
ISNAD Gören, Kenan et al. “Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent”. Journal of the Institute of Science and Technology 12/3 (September 2022), 1677-1689. https://doi.org/10.21597/jist.1103750.
JAMA Gören K, Bağlan M, Çakmak İ. Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent. J. Inst. Sci. and Tech. 2022;12:1677–1689.
MLA Gören, Kenan et al. “Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent”. Journal of the Institute of Science and Technology, vol. 12, no. 3, 2022, pp. 1677-89, doi:10.21597/jist.1103750.
Vancouver Gören K, Bağlan M, Çakmak İ. Theoretical Investigation of 1H and 13C NMR Spectra of Diethanol Amine Dithiocarbamate RAFT Agent. J. Inst. Sci. and Tech. 2022;12(3):1677-89.
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