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Journals / Osmaniye Korkut Ata Üniversitesi Fen Bilimleri Enstitüsü Dergisi / 2026 / Cilt: 9 Sayı: 3

Synthesis, Structure Characterization, and Theoretical Studies of New Schiff Base Derived Thiosemicarbazones

Yeni Schiff Bazı Türevli Tiyosemikarbazonların Sentezi, Yapı Karakterizasyonu ve Teorik Çalışmaları

Hasan Yakan(ONDOKUZ MAYIS ÜNİVERSİTESİ)0000-0002-4428-4696
Halit Muğlu(KASTAMONU UNIVERSITY)0000-0001-8306-2378
Muhammet Serdar Çavuş(KASTAMONU UNIVERSITY)0000-0002-3721-0883
Pages
1732–1749
Publication Date
2026-06-16
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AI Summary & Key Takeaways

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

Additionally, QTAIM and IRI analyses were employed to characterize intramolecular interactions.

📌 3 Key Takeaways

🎯
Objective & Hypothesis:A series of new Schiff base-derived thiosemicarbazones (compounds 1–4) were synthesized via the condensation of various aldyhde derivatives with thiosemicarbazide.
📊
Key Findings & Data:The key intermediate, thiosemicarbazide, was prepared by the reaction of isothiocyanate with hydrazine monohydrate.
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Conclusion & Impact:Additionally, QTAIM and IRI analyses were employed to characterize intramolecular interactions.
🔬Design:Araştırma Makalesi
📍Scope:Comprehensive Sample
⚙️Variables:Schiff bazı · Tiyosemikarbazon · Spektroskopik teknikler

Abstract

A series of new Schiff base-derived thiosemicarbazones (compounds 1–4) were synthesized via the condensation of various aldyhde derivatives with thiosemicarbazide. The key intermediate, thiosemicarbazide, was prepared by the reaction of isothiocyanate with hydrazine monohydrate. The structures and purity of the compounds were definited through spectroscopic techniques, including 1H and 13C NMR, FT-IR, and elemental analysis. Furthermore, density functional theory (DFT) calculations were performed to investigate the stability and reactivity of the compounds in greater detail. These calculations provided comprehensive and comparative insights into the structural and electronic properties of the compounds. The nucleophilic and electrophilic characteristics of the compounds were assessed through the calculation of global reactivity parameters, and the role of substituents in modulating the electronic properties and reactivity of the compounds was examined. Additionally, QTAIM and IRI analyses were employed to characterize intramolecular interactions.

Özet

Çeşitli aldehit türevlerinin tiyosemikarbazit ile kondenzasyonu yoluyla bir dizi yeni Schiff bazı türevi tiyosemikarbazon (1-4) sentezlendi. Ana ara ürün olan tiyosemikarbazit, izotiyosiyanatın hidrazin monohidrat ile reaksiyonuyla hazırlandı. Bileşiklerin yapıları ve saflığı, 1H ve 13C NMR, FT-IR ve elementel analiz gibi spektroskopik tekniklerle belirlendi. Ayrıca, bileşiklerin kararlılığını ve reaktivitesini daha ayrıntılı olarak incelemek için yoğunluk fonksiyonel teorisi (DFT) hesaplamaları yapıldı. Bu hesaplamalar, bileşiklerin yapısal ve elektronik özelliklerine kapsamlı ve karşılaştırmalı bir bakış açısı sağladı. Bileşiklerin nükleofilik ve elektrofilik özellikleri, küresel reaktivite parametrelerinin hesaplanmasıyla değerlendirildi ve bileşiklerin elektronik özelliklerini ve reaktivitesini düzenlemede ikame edicilerin rolü incelendi. Ayrıca, molekül içi etkileşimleri karakterize etmek için QTAIM ve IRI analizleri kullanıldı.

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Cite This Article

Yakan, H., Muğlu, H., Çavuş, M. S. (2026). Synthesis, Structure Characterization, and Theoretical Studies of New Schiff Base Derived Thiosemicarbazones. Osmaniye Korkut Ata Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Cilt: 9 Sayı: 3, 1732–1749. https://doi.org/10.47495/okufbed.1782475

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