Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory
In this study, two different azo dyes were synthesized from the reaction of 2-amino benzothiazole derivative amine and heterocyclic coupling compounds. The structures of the synthesized compounds were characterized such as by 1H-NMR and FT-IR spectroscopic methods. Four different possible tautomer s...
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| Format: | Article |
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Suleyman Demirel University
2023-06-01
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| Series: | Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi |
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| Online Access: | https://dergipark.org.tr/tr/download/article-file/2837215 |
| _version_ | 1827914512612720640 |
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| author | Nesrin Şener Muhammet Çavuş |
| author_facet | Nesrin Şener Muhammet Çavuş |
| author_sort | Nesrin Şener |
| collection | DOAJ |
| description | In this study, two different azo dyes were synthesized from the reaction of 2-amino benzothiazole derivative amine and heterocyclic coupling compounds. The structures of the synthesized compounds were characterized such as by 1H-NMR and FT-IR spectroscopic methods. Four different possible tautomer structures are contemplated for each of the compounds. Considering the spectroscopic results analysis, the molecular structure of each tautomer was evaluated. UV-Vis. absorption properties of the obtained azo dyestuff compounds were studied using six different solvents. On the other hand, the electronic data of the spectroscopic and absorption properties of the tautomeric structures of the final products were examined theoretically at the B3LYP/6-311++G(2d,2p) theory level with the DFT approach. The experimental and theoretical results obtained in the study were compared with each other and the results were discussed. |
| first_indexed | 2024-03-13T02:45:19Z |
| format | Article |
| id | doaj.art-534757dd50124fd4a206a7b086220382 |
| institution | Directory Open Access Journal |
| issn | 1306-7575 |
| language | English |
| last_indexed | 2024-03-13T02:45:19Z |
| publishDate | 2023-06-01 |
| publisher | Suleyman Demirel University |
| record_format | Article |
| series | Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi |
| spelling | doaj.art-534757dd50124fd4a206a7b0862203822023-06-28T19:46:49ZengSuleyman Demirel UniversitySüleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi1306-75752023-06-0118218119410.29233/sdufeffd.12203601113Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional TheoryNesrin Şener0Muhammet Çavuş1KASTAMONU ÜNİVERSİTESİKASTAMONU ÜNİVERSİTESİIn this study, two different azo dyes were synthesized from the reaction of 2-amino benzothiazole derivative amine and heterocyclic coupling compounds. The structures of the synthesized compounds were characterized such as by 1H-NMR and FT-IR spectroscopic methods. Four different possible tautomer structures are contemplated for each of the compounds. Considering the spectroscopic results analysis, the molecular structure of each tautomer was evaluated. UV-Vis. absorption properties of the obtained azo dyestuff compounds were studied using six different solvents. On the other hand, the electronic data of the spectroscopic and absorption properties of the tautomeric structures of the final products were examined theoretically at the B3LYP/6-311++G(2d,2p) theory level with the DFT approach. The experimental and theoretical results obtained in the study were compared with each other and the results were discussed.https://dergipark.org.tr/tr/download/article-file/2837215benzotiyazoldft.heterocyclicazo dyesbenzotiyazoldftheterosiklikazo boyarmadde |
| spellingShingle | Nesrin Şener Muhammet Çavuş Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi benzotiyazol dft. heterocyclic azo dyes benzotiyazol dft heterosiklik azo boyarmadde |
| title | Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory |
| title_full | Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory |
| title_fullStr | Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory |
| title_full_unstemmed | Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory |
| title_short | Synthesis and Analysis of Some Azo Dyes Obtained from Benzothiazole by Density Functional Theory |
| title_sort | synthesis and analysis of some azo dyes obtained from benzothiazole by density functional theory |
| topic | benzotiyazol dft. heterocyclic azo dyes benzotiyazol dft heterosiklik azo boyarmadde |
| url | https://dergipark.org.tr/tr/download/article-file/2837215 |
| work_keys_str_mv | AT nesrinsener synthesisandanalysisofsomeazodyesobtainedfrombenzothiazolebydensityfunctionaltheory AT muhammetcavus synthesisandanalysisofsomeazodyesobtainedfrombenzothiazolebydensityfunctionaltheory |