Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye
This study describes the synthesis, characterization and theoretical calculation of 3,5-dihydroxy-2-(naphthalen-2-yldiazenyl) benzoic acid. The synthesized compound was obtained through efficient synthetic route using 2-Naphthylamine and 3,5-dihydroxybenzoic acid as starting materials and characteri...
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| Format: | Article |
| Language: | English |
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Suleyman Demirel University
2022-11-01
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| Series: | Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi |
| Subjects: | |
| Online Access: | https://dergipark.org.tr/tr/download/article-file/2675277 |
| _version_ | 1797921082773078016 |
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| author | Mehmet Ulutürk Çiğdem Karabacak Atay |
| author_facet | Mehmet Ulutürk Çiğdem Karabacak Atay |
| author_sort | Mehmet Ulutürk |
| collection | DOAJ |
| description | This study describes the synthesis, characterization and theoretical calculation of 3,5-dihydroxy-2-(naphthalen-2-yldiazenyl) benzoic acid. The synthesized compound was obtained through efficient synthetic route using 2-Naphthylamine and 3,5-dihydroxybenzoic acid as starting materials and characterized by various spectroscopic techniques such as Fouirer Transform Infrared Spectroscopy (FTIR), Proton Nuclear Magnetic Resonance Spectroscopy (1H-NMR), Carbon Nuclear Magnetic Resonance Spectroscopy (13C-NMR), Ultraviolet–visible spectroscopy (UV-Vis). All theoretical calculation was performed with Density Functional Theory (DFT). Optimized molecular structure, vibrational spectra, NMR chemical shift values, frontier molecular orbitals, bond lengths (Å), bond angles (°) and Molecular Electrostatic Potential (MEP) diagram of molecule were calculated using the 6-311G(d,p) basis set. It has been observed that the results obtained from the experimental and theoretical calculations support each other and were in harmony. |
| first_indexed | 2024-04-10T14:10:50Z |
| format | Article |
| id | doaj.art-45f31aab65f7409bba75adb1515ecd46 |
| institution | Directory Open Access Journal |
| issn | 1306-7575 |
| language | English |
| last_indexed | 2024-04-10T14:10:50Z |
| publishDate | 2022-11-01 |
| publisher | Suleyman Demirel University |
| record_format | Article |
| series | Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi |
| spelling | doaj.art-45f31aab65f7409bba75adb1515ecd462023-02-15T16:09:44ZengSuleyman Demirel UniversitySüleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi1306-75752022-11-0117255956710.29233/sdufeffd.11811191113Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo DyeMehmet Ulutürk0Çiğdem Karabacak Atay1TÜBİTAK Marmara Research CenterMEHMET AKIF ERSOY UNIVERSITYThis study describes the synthesis, characterization and theoretical calculation of 3,5-dihydroxy-2-(naphthalen-2-yldiazenyl) benzoic acid. The synthesized compound was obtained through efficient synthetic route using 2-Naphthylamine and 3,5-dihydroxybenzoic acid as starting materials and characterized by various spectroscopic techniques such as Fouirer Transform Infrared Spectroscopy (FTIR), Proton Nuclear Magnetic Resonance Spectroscopy (1H-NMR), Carbon Nuclear Magnetic Resonance Spectroscopy (13C-NMR), Ultraviolet–visible spectroscopy (UV-Vis). All theoretical calculation was performed with Density Functional Theory (DFT). Optimized molecular structure, vibrational spectra, NMR chemical shift values, frontier molecular orbitals, bond lengths (Å), bond angles (°) and Molecular Electrostatic Potential (MEP) diagram of molecule were calculated using the 6-311G(d,p) basis set. It has been observed that the results obtained from the experimental and theoretical calculations support each other and were in harmony.https://dergipark.org.tr/tr/download/article-file/2675277benzoik asitmono azo boyateorik hesaplamabenzoic acidmono azo dyetheoretical calculation |
| spellingShingle | Mehmet Ulutürk Çiğdem Karabacak Atay Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi benzoik asit mono azo boya teorik hesaplama benzoic acid mono azo dye theoretical calculation |
| title | Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye |
| title_full | Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye |
| title_fullStr | Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye |
| title_full_unstemmed | Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye |
| title_short | Synthesis and Theoretical Calculations of Benzoic Acid-Based New Mono Azo Dye |
| title_sort | synthesis and theoretical calculations of benzoic acid based new mono azo dye |
| topic | benzoik asit mono azo boya teorik hesaplama benzoic acid mono azo dye theoretical calculation |
| url | https://dergipark.org.tr/tr/download/article-file/2675277 |
| work_keys_str_mv | AT mehmetuluturk synthesisandtheoreticalcalculationsofbenzoicacidbasednewmonoazodye AT cigdemkarabacakatay synthesisandtheoreticalcalculationsofbenzoicacidbasednewmonoazodye |