Nitro Piridin Halkasının Nükleofilik Sübstitüsyonundan Elde Edilen İki Yeni Enerjik Malzemenin Termal İncelenmesi, Termokinetik Analizi ve Antimikrobiyal Aktivitesi

Abstract

2-Kloro-3,5-dinitropiridin, hidrazin ve 3-amimopirazol ile tepkimeye sokuldu ve iki yeni azotça zengin enerjik madde elde edildi, N(3,5-dinitropiridin-2-yl) hidrazin (I), ve N(3,5-dinitropiridin-2-yl),3-aminopirazol (II). Bu maddeler, element analizi, kütle spektroskopi, IR spektroskopi, ¹HNMR ve ¹³CNMR yöntemleri ile karakterize edildi. Bu maddeler TG ile incelendi ve termal parçalanma mekanizmaları yorumlandı. Bunun yanında izotermal ve nonizotermal kinetik analiz yöntemleriyle çalışıldı ve termal parçalanma tepkimelerinin aktivasyon enerjileri, Arheniuss pre-eksponansiyal faktörleri bulundu, bu değerler kullanılarak parçalanma tepkimelerinin termodinamik parametreleri hesaplandı. Termal parçalanma tepkimelerinde ara ürünün nitrofuroksan halkası olduğu sonucuna varıldı. Gaussian 09 yazılımı içindeki algoritmalar kullanılarak iki enerjik maddenin standart formasyon entalpisi değerleri hesaplandı.  Bu değerler kullanılarak termal parçalanma tepkimesinin tepkime entalpisi değeri Hess yasası uyarınca hesaplandı ve bulunan sonuç Diferansiyel Taramalı Kalorimetre yönteminden elde edilen değer ile karşılaştırıldı, deneysel ve teorik sonuçların birbirinden uzak olmadığı görüldü. Bunlara ek olarak azotça zengin enerjik maddelerin antimikrobiyel etkileri 5 farklı bakteriye karşı, antifungal etkileri de bir mantar türüne karşı ölçüldü. Azotça zengin olduklarından bakterilerin bu maddelerdeki azotu besin olarak kullandığı belirlendi.

Keywords

• Enerjik Malzeme,Termal parçalanma,Termokinetik Analiz,İzokonversiyonel-non İzotermal Yöntemler,OFW,KAS

The Thermal Investigation, Thermokinetic Analysis and Antimicrobial Activity of Two New Energetic Materials Obtained from Nucleophilic Substitution of Nitro Pyridine Ring

Abstract

2-Chloro-3 and 5-dinitropyridine were put into reaction with hydrazine and 3-aminopyrazole to obtain two new highly nitrogenous energetic substances. These energetic substances are; N(3,5-dinitropyridyn-2-yl) hydrazine (I), and N(3,5-dinitropyridyn-2-yl)3-aminopyrazole (II). These substances were characterized with element analysis, mass spectroscopy, IR spectroscopy, ¹HNMR and ¹³CNMR methods. Besides, the substances were analyzed with TG and thermal decomposition mechanisms were interpreted. Apart from these, isothermal and thermal kinetic analysis methods were used to reveal out the activation energies and Arrhenius pre-exponential factors. Thermodynamic parameters of decomposition reactions were measured by using these values. Nitrofuroxane ring was concluded to be the sub-product in thermal decomposition reactions. Gaussian 09 software algorithms were used to measure the standard formation enthalpy values of the two energetic substances.  Using these values, the reaction enthalpy value of the thermal decomposition reaction according to Hess's law and the result obtained was compared with the value obtained from the differential scanning calorimetry method. Experimental and theoretical results were observed to be similar. In addition to these, antimicrobial effects of the highly nitrogenous energetic substances were measured for 5 different bacteria and their antifungal effects were measured for one type of fungus. As they were highly nitrogenous, the bacteria were found to be using the nitrogen in these substances for nutritional purpose.

Keywords

• Energetic Materials,Thermal decomposition,Thermokinetic Analysis,Isoconvertional-nonisothermal methods,OFW,KAS

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