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Journals / Balıkesir Üniversitesi Fen Bilimleri Enstitüsü Dergisi / 2018 / Cilt: 20 - Sayı: 1

Novel 1,3,4-thiadiazole compounds derived from 4- phenylbutyric acid: Synthesis, characterization and DFT studies

Yeni 4-fenilbütirik asit türevi 1,3,4-tiyadiazol bileşikleri: Sentezi, karakterizasyonu ve DFT çalışmaları

Nesrin ŞENER
Mahmut GÜR
Pages
145–155
Publication Date
2018-07-17
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

In addition, molecular conformation, electronic properties and UV-vis analysis of synthesized 1,3,4-thiadiazole compounds were theoretically investigated by using density functional theory (DFT), and how F, Cl and methoxy isomers affected the molecular configuration was analyzed.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:In this study; new 1,3,4-thiadiazole compounds were synthesized and their structural characterization were carried out by using FT-IR, 1H-NMR, 13C-NMR spectroscopic methods, and elemental analysis.
📊
Key Findings & Data:Furthermore, the absorption properties of the synthesized compounds were also studied with UV-Vis. spectrophotometer.
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Conclusion & Impact:In addition, molecular conformation, electronic properties and UV-vis analysis of synthesized 1,3,4-thiadiazole compounds were theoretically investigated by using density functional theory (DFT), and how F, Cl and methoxy isomers affected the molecular configuration was analyzed.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:134-thiadiazole · butyric acid · absorption

Abstract

In this study; new 1,3,4-thiadiazole compounds were synthesized and their structural characterization were carried out by using FT-IR, 1H-NMR, 13C-NMR spectroscopic methods, and elemental analysis. Furthermore, the absorption properties of the synthesized compounds were also studied with UV-Vis. spectrophotometer. In addition, molecular conformation, electronic properties and UV-vis analysis of synthesized 1,3,4-thiadiazole compounds were theoretically investigated by using density functional theory (DFT), and how F, Cl and methoxy isomers affected the molecular configuration was analyzed.

Özet

Bu çalışmada; literatürde daha önce sentezlenmemiş 1,3,4-tiyadiazol bileşikleri sentezlendi. Sentezlenen bu bileşiklerin FT-IR, 1H-NMR, 13C-NMR spektroskopik yöntemleri ve elementel analiz kullanılarak yapı tayini gerçekleştirildi. Daha sonra UV-vis. spektrofotometre cihazı kullanılarak elde edilen bileşiklerin absorpsiyon özellikleri de incelendi. Ayrıca, yoğunluk fonksiyonel teorisi (DFT) kullanılarak, sentezlenen 1,3,4-tiyadiazol bileşiklerinin moleküler konformasyonu, elektronik konfigürasyonu ve UV-vis analizleri teorik olarak yapılmış, F, Cl ve metoksi izomerlerinin moleküler konfigürasyonu nasıl etkilediği analiz edildi.

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Cite This Article

ŞENER, N., GÜR, M. (2018). Novel 1,3,4-thiadiazole compounds derived from 4- phenylbutyric acid: Synthesis, characterization and DFT studies. Balıkesir Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Cilt: 20 - Sayı: 1, 145–155. https://ajindex.com/articles/251017

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