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Journals / Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik / 2015 / Cilt: 16 - Sayı: 1

MICROWAVE ASSISTED and TRADITIONAL SYNTHESIS and CHARACTERIZATION of 2-ALLYL-6,6'-[(3,3'-DIMETHOXY[1,1'-BIPHENYL]-4,4'- DIYL)BIS(NITRILOMETHYLIDYNE)]BIS-PHENOL and EXPERIMENTAL and THEORETICAL INVESTIGATION of ITS TAUTOMERIC PROPERTIES

2-ALLİL-6,6'-[(3,3'-DİMETOKSİ[1,1'-BİFENİL]-4,4'- DİYİL)BİS(NİTRİLOMETİLİDEN)]BİS-FENOLÜN MİKRODALGA ve GELENEKSEL ISITMA YOLUYLA SENTEZİ, YAPI KARAKTERİZASYONU ve TAUTOMERİK ÖZELLİKLERİNİN DENEYSEL ve TEORİK OLARAK İNCELENMESİ

Halil BERBER
Emel ERMİŞ
Pages
81–96
Publication Date
2022-10-11
DOI
—
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AI Summary & Key Takeaways

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⚡ TL;DR(Too Long; Didn't Read)

Furthermore, the geometry of compound, the energies ofphenol-imine and keto-amine tautomers in different organic solvents, intramolecular O-H...N and O...H- N hydrogen bond length, UV-visible excitation energy and oscillator strength were calculated with thetheoretical calculation method DFT (B3LYP)/6-311+G(d,p) and calculations were compared withexperimental results.

📌 3 Key Takeaways

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Objective & Hypothesis:Schiff base compound 2-allyl-6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'- diyl)bis(nitrilomethylidyne)]bis-phenol (3) was synthesized using traditional heating and microwave- irradiation method with the condensation reaction of 3-allylsalicylaldehyde (1) and o-dianisidine (2).The chemical structure of compound (3) was characterized by elemental analysis, FTIR, 1H NMR and13C NMR techniques.
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Key Findings & Data:H-Ntautomers) in various organic solvents were studied using UV-visible region spectrophotometric method and keto-amine percentages were calculated.
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Conclusion & Impact:Furthermore, the geometry of compound, the energies ofphenol-imine and keto-amine tautomers in different organic solvents, intramolecular O-H...N and O...H- N hydrogen bond length, UV-visible excitation energy and oscillator strength were calculated with thetheoretical calculation method DFT (B3LYP)/6-311+G(d,p) and calculations were compared withexperimental results.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Domain Parameters

Abstract

Schiff base compound 2-allyl-6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'- diyl)bis(nitrilomethylidyne)]bis-phenol (3) was synthesized using traditional heating and microwave- irradiation method with the condensation reaction of 3-allylsalicylaldehyde (1) and o-dianisidine (2).The chemical structure of compound (3) was characterized by elemental analysis, FTIR, 1H NMR and13C NMR techniques. The tautomeric equilibria (for phenol-imine O-H...N and keto-amine O... H-Ntautomers) in various organic solvents were studied using UV-visible region spectrophotometric method and keto-amine percentages were calculated. Furthermore, the geometry of compound, the energies ofphenol-imine and keto-amine tautomers in different organic solvents, intramolecular O-H...N and O...H- N hydrogen bond length, UV-visible excitation energy and oscillator strength were calculated with thetheoretical calculation method DFT (B3LYP)/6-311+G(d,p) and calculations were compared withexperimental results.

Özet

2-Allil-6,6'-[(3,3'-dimetoksi[1,1'-bifenil]-4,4'-diyil)bis(nitrilometiliden)]bis-fenol (3) Schiff bazıbileşiği, 3-allilsalisilaldehitin (1) o-dianisidin (2) ile kondenzasyon reaksiyonundan geleneksel ısıtmave mikrodalga-ışınlama yöntemi kullanılarak sentezlendi. Bileşik (3)ün kimyasal yapısı elementanalizi, FTIR, 1H NMR, ve 13C NMR teknikleri kullanılarak karakterize edildi. Bileşiğin farklı organikçözücülerde fenol-imin (O-H N) ve keto-amin (O H-N) tautomerik dengeleri, UV-görünür bölgespektrofotometrik yöntem kullanılarak incelendi ve keto-amin yüzdeleri hesaplandı. Ayrıca, bileşiğingeometrisi, farklı çözücülerdeki fenol-imin ve keto-amin tautomerlerinin enerjisi, moleküliçi O-H Nve O H-N hidrojen bağ uzunluğu, UV-görünür bölge uyarılma enerjisi ve ossilatör kuvveti DFT(B3LYP)/6-311+G(d,p) hesaplama yöntemiyle teorik olarak hesaplandı ve hesaplamalar deneyselsonuçlar ile karşılaştırıldı

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Cite This Article

BERBER, H., ERMİŞ, E. (2022). MICROWAVE ASSISTED and TRADITIONAL SYNTHESIS and CHARACTERIZATION of 2-ALLYL-6,6'-[(3,3'-DIMETHOXY[1,1'-BIPHENYL]-4,4'- DIYL)BIS(NITRILOMETHYLIDYNE)]BIS-PHENOL and EXPERIMENTAL and THEORETICAL INVESTIGATION of ITS TAUTOMERIC PROPERTIES. Anadolu Üniversitesi Bilim ve Teknoloji Dergisi :A-Uygulamalı Bilimler ve Mühendislik, Cilt: 16 - Sayı: 1, 81–96. https://ajindex.com/articles/438365

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