The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method
<strong> </strong>In this article, synthesis of the explosive synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in different conditions of temperature, with density functional theory method were studied. For this...
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| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2018-04-01
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| Series: | International Journal of New Chemistry |
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| Online Access: | http://www.ijnc.ir/article_32720_8e853fa4853c6abca2abe18153bfad3a.pdf |
| _version_ | 1811225889670692864 |
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| author | Neda Hajizadeh Azade Saadat |
| author_facet | Neda Hajizadeh Azade Saadat |
| author_sort | Neda Hajizadeh |
| collection | DOAJ |
| description | <strong> </strong>In this article, synthesis of the explosive synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained. And finally, the best temperature for the synthesis of explosive according to the obtained thermodynamic parameters were evaluated. |
| first_indexed | 2024-04-12T09:16:04Z |
| format | Article |
| id | doaj.art-68560da0dc4246b1b11c8edebf22b9ed |
| institution | Directory Open Access Journal |
| issn | 2645-7237 2383-188X |
| language | English |
| last_indexed | 2024-04-12T09:16:04Z |
| publishDate | 2018-04-01 |
| publisher | Iranian Chemical Science and Technologies Association |
| record_format | Article |
| series | International Journal of New Chemistry |
| spelling | doaj.art-68560da0dc4246b1b11c8edebf22b9ed2022-12-22T03:38:51ZengIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-72372383-188X2018-04-0152485510.22034/ijnc.2018.3272032720The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT MethodNeda Hajizadeh0Azade Saadat1Department of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, IranDepartment of Chemistry, Yadegar-e-Imam Khomeini (RAH) Shahre-rey Branch, Islamic Azad University, Tehran, Iran<strong> </strong>In this article, synthesis of the explosive synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in different conditions of temperature, with density functional theory method were studied. For this purpose, at first the material contained in the both sides of reaction were geometrically optimized, then the calculation of the thermodynamic parameters performed on all of them. The amount of ∆H, ∆S and ∆G of this reaction at different temperatures in form of sum of parameters discrepancy in the products than reactants is obtained. And finally, the best temperature for the synthesis of explosive according to the obtained thermodynamic parameters were evaluated.http://www.ijnc.ir/article_32720_8e853fa4853c6abca2abe18153bfad3a.pdf5- picrylamino-14-tetrazole (pat)synthesis5-amino-1234-tetrazolepicryl chloride |
| spellingShingle | Neda Hajizadeh Azade Saadat The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method International Journal of New Chemistry 5- picrylamino-1 4-tetrazole (pat) synthesis 5-amino-1 2 3 4-tetrazole picryl chloride |
| title | The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method |
| title_full | The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method |
| title_fullStr | The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method |
| title_full_unstemmed | The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method |
| title_short | The Synthesis of 5- picrylamino-1, 2, 3, 4-tetrazole (PAT) from the Reaction of 5-amino-1, 2, 3, 4-tetrazole with picryl chloride in Different Temperature Conditions, the DFT Method |
| title_sort | synthesis of 5 picrylamino 1 2 3 4 tetrazole pat from the reaction of 5 amino 1 2 3 4 tetrazole with picryl chloride in different temperature conditions the dft method |
| topic | 5- picrylamino-1 4-tetrazole (pat) synthesis 5-amino-1 2 3 4-tetrazole picryl chloride |
| url | http://www.ijnc.ir/article_32720_8e853fa4853c6abca2abe18153bfad3a.pdf |
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