Synthesis, physico-chemical, hirschfield surface and DFT/B3LYP calculation of two new hexahydropyrimidine heterocyclic compounds
| المؤلف | Warad, Ismail |
| المؤلف | Al-Nuri, Mohammed |
| المؤلف | Ali, Oraib |
| المؤلف | Abu-Reidah, Ibrahim M. |
| المؤلف | Barakat, Assem |
| المؤلف | Ben Hadda, Taibi |
| المؤلف | Zarrouk, Abdelkader |
| المؤلف | Radi, Smaail |
| المؤلف | Touzani, Rachid |
| المؤلف | Elmsellem, Hicham |
| تاريخ الإتاحة | 2020-05-14T09:55:44Z |
| تاريخ النشر | 2019 |
| اسم المنشور | Iranian Journal of Chemistry and Chemical Engineering |
| المصدر | Scopus |
| الرقم المعياري الدولي للكتاب | 10219986 |
| الملخص | Two new hexahydropyrimidine compounds were prepared in high yield by condensation of an equimolar amount of 1,3-diamine with 2-dipyridylketone at room temperature in dichloromethane. The desired hexahydropyrimidine structures were confirmed on the basis of their UV-Visible, elemental analysis, FT-IR,1H-NMR, TG/DTG and EI-MS data. Hirschfield and DFT/B3LYP theoretical analyses were performed and their output results were compared to experimental data. - 2019, Iranian Institute of Research and Development in Chemical Industries. All rights reserved. |
| راعي المشروع | The authors extend their appreciation to the Deanship of Scientific Research at King Saud University for funding the work through the research group project Number (RGP-257-1435-1436). |
| اللغة | en |
| الناشر | Iranian Institute of Research and Development in Chemical Industries |
| الموضوع | DFT Hexahydropyrimidine Hirschfield surface NMR |
| النوع | Article |
| الصفحات | 59-68 |
| رقم العدد | 4 |
| رقم المجلد | 38 |
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