Some Nitrogen Rich Energetic Material Synthesis by Nucleophilic Substitution Reaction from Polynitro Aromatic Compounds
| Autor: | Orhan Atakol, Ş. Betül Sopacı, Kübra Gürpinar, Yaprak Gürsoy Tuncer, Emine Kübra İnal, Ingrid Svoboda, M. Abdülkadir Akay, Hasan Nazir |
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| Přispěvatelé: | Fen Edebiyat Fakültesi, Betül Sopacı / 0000-0002-2840-4985 |
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Kamlet-Jacobs equation
formation enthalpy antimicrobial activity Chemistry nitrogen-rich material Thermal decomposition Hydrazine Carbon-13 NMR Energetic material chemistry.chemical_compound Polymer chemistry Nucleophilic substitution Proton NMR General Earth and Planetary Sciences thermokinetic analysis Guanidine QD1-999 HOMO/LUMO General Environmental Science |
| Zdroj: | Acta Chimica Slovenica, Vol 68, Iss 4, Pp 930-944 (2021) |
| Popis: | Three new nitrogen-rich energetic compounds, N -(5-chloro-2,4-dinitrophenyl)hydrazine ( 1 ), N -(5-chloro-2,4-dinitrophenyl)guanidine ( 2 ) and N -(5-chloro-2,4-dinitrophenyl)-4-aminopyrazole ( 3 ) prepared by the nucleophilic substitution reaction of 1,3-dichloro-4,6-dinitrobenzene with hydrazine, guanidinium carbonate and 4-aminopyrazole. The compounds were characterized by 1 H NMR, 13 C NMR, IR and mass spectroscopy. Only compound 2 could be prepared in a suitable crystal and molecular model was determined by X-ray analysis. Compounds were investigated by TG and DSC. Thermal degradation and thermokinetic behavior were investigated by Ozawa–Flynn–Wall and Kissinger–Akahira–Sunose techniques. Compounds were observed to be prone to exothermical thermal decomposition. HOMO and LUMO levels, theoretical formation enthalpy and electrostatic maps were calculated by Gaussian09. The detonation velocity and pressure were calculated by Kamlet–Jacobs equation. The compounds were assayed for antimicrobial properties. |
| Databáze: | OpenAIRE |
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