Yeni Nesil Enerjik 1(3-klorofenil)-1H-tetrazol'ün Sentezi, Karakterizasyonu, Termokinetik Analizi ve Enerjik Performans Özellikleri

Year 2021, Volume: 16 Issue: 2, 468 - 489, 25.11.2021

Nilgün Şen , Sinecan Bozkuş Bayram Yüksel , Kübra Gürpınar Yaprak Gürsoy Ertan Şahin , Orhan Atakol

https://doi.org/10.29233/sdufeffd.908639

Abstract

Azotça zengin, yeni nesil çevre dostu 1(3-klorofenil)-1H-tetrazol maddesi sentezlenmiş ve yapısı Tek kristal X- ışını kırınımı, 1H-NMR, Kızılötesi spektroskopisi, Diferansiyel Taramalı Kalorimetre ile karakterize edilmiştir. Crystal Explorer 17 programı kullanılarak hesaplanan 1(3-klorofenil)-1H-tetrazol kristalinin Hirshfeld yüzey analizi sonucunda moleküller arası etkileşimlerinin C...C (% 8.6), C...H (% 4.6), N...H (% 19.4), N...N (% 19.4), Cl...H (% 12.7) ve H...H (% 12.5) atomları arasında olduğu görülmüştür. Kütle kaybı, teorik hesaplamalar ve DSC cihazında ölçülen ısı dikkate alınarak termokinetik analizi yapıldığında maddenin ekzotermik bir tepkimeyle termal olarak bozunduğu ve en olası termal parçalanma ürünlerinin 3-klorofenil radikali ve tetrazol radikali olduğu belirlenmiştir. EXPLO5 V6.03 programı kullanılarak patlama hızı 4409 m/s, patlama basıncı 5.4 GPa ve oksijen dengesi -141.742 olarak hesaplanmıştır. Yapılan bu yeni azotça zengin enerjik madde çalışması ile maddenin kristal yoğunluğu, oksijen dengesi, erime noktası, ayrışma sıcaklığı, termokinetik analizi, patlama performansı (hız, basınç) gibi önemli fiziksel ve kimyasal özellikleri belirlenmiştir. Tasarlan yeni nesil enerjik madde çevre dostu maddelere alternatif bir enerjik madde örneği sunmaktadır. Bu sonuçlar, gelecekteki yeni nesil enerjik materyallerin tasarımında önemli bir hususu vurgulamaktadır.

Keywords

Enerjik madde, 1(3-klorofenil)-1Htetrazol, Ternokinetik analiz, Enerjik performans ozellikleri

Synthesis, Characterization, Thermokinetic Analysis and Energetic Performance Properties of New Generation Energetic 1 (3-chlorophenyl) -1H- tetrazole

Abstract

1 (3-chlorophenyl)-1H-tetrazole, Nitrogen-rich and new generation environmentally friendly, was synthesized and characterized via single crystal X-ray diffraction, 1H-NMR, Infrared spectroscopy, Differential scanning calorimetry techniques. Hirshfeld surfaces and associated fingerprint plots of the compound were calculated using the Crystal Explorer 17 program and the results indicated that the structures are stabilized by C...C (% 8.6), C...H (% 4.6), N...H (% 19.4), N...N (% 19.4), Cl...H (% 12.7) and H...H (% 12.5) intermolecular interactions. Considering mass loss, theoretical calculations and thermo-kinetic analysis, measured heat in the DSC device, 1 (3-chlorophenyl)-1H- tetrazole was decomposed by an exothermic reaction and the most likely thermal decomposition products were 3-chlorophenyl radical and tetrazole radical. Using the EXPLO5 V6.03 program, the detonation velocity was calculated as 4409 m/s, the explosion pressure as 5.4 GPa and the oxygen balance as -141.742. With the new energetic nitrogen-rich work obtained, important physical and chemical properties such as crystal density, oxygen balance, melting point, decomposition temperature, thermos-kinetic analysis, explosion performance (velocity, pressure) have been determined. These results highlight an important consideration in the design of future alternative new generation energetic materials.

Keywords

Energetic material, 1(3-chlorophenyl)1H tetrazole, Thermokinetic analysis, Energetic performance properties

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