نمایش مختصر رکورد

Synthesis, Physico-Chemical, Hirschfield Surface and DFT/B3LYP Calculation of Two New Hexahydropyrimidine Heterocyclic Compounds

dc.contributor.authorKhalil Warad, Ismailen_US
dc.contributor.authorAl-Nuri, Mohammeden_US
dc.contributor.authorAli, Oraiben_US
dc.contributor.authorAbu-Reidah, Ibrahim M.en_US
dc.contributor.authorBarakat, Assemen_US
dc.contributor.authorBen Hadda, Taibien_US
dc.contributor.authorZarrouk, Abdelkaderen_US
dc.contributor.authorRadi, Smaailen_US
dc.contributor.authorTouzani, Rachiden_US
dc.contributor.authorHicham, Elmsellemen_US
dc.date.accessioned1399-07-08T20:16:15Zfa_IR
dc.date.accessioned2020-09-29T20:16:15Z
dc.date.available1399-07-08T20:16:15Zfa_IR
dc.date.available2020-09-29T20:16:15Z
dc.date.issued2019-08-01en_US
dc.date.issued1398-05-10fa_IR
dc.date.submitted2017-12-22en_US
dc.date.submitted1396-10-01fa_IR
dc.identifier.citationKhalil Warad, Ismail, Al-Nuri, Mohammed, Ali, Oraib, Abu-Reidah, Ibrahim M., Barakat, Assem, Ben Hadda, Taibi, Zarrouk, Abdelkader, Radi, Smaail, Touzani, Rachid, Hicham, Elmsellem. (2019). Synthesis, Physico-Chemical, Hirschfield Surface and DFT/B3LYP Calculation of Two New Hexahydropyrimidine Heterocyclic Compounds. Iranian Journal of Chemistry and Chemical Engineering (IJCCE), 38(4), 59-68.en_US
dc.identifier.issn1021-9986
dc.identifier.urihttp://www.ijcce.ac.ir/article_31715.html
dc.identifier.urihttps://iranjournals.nlai.ir/handle/123456789/84778
dc.description.abstract<em>Two new </em><em>hexahydropyrimidine compounds </em><em>were prepared in high yield by condensation of an equimolar amount of 1,3-diamine with 2-dipyridylketone at room temperature </em><em>in dichloromethane. The desired </em><em>hexahydropyrimidine</em><em> structures were confirmed on the basis of </em><em>their UV-Visible, elemental analysis, FT-IR, <sup>1</sup>H-NMR, TG/DTG, and EI-MS data. </em><em>Hirschfield and DFT/B3LYP theoretical analyses were performed and their output results were compared to experimental data.</em>en_US
dc.format.extent1076
dc.format.mimetypeapplication/pdf
dc.languageEnglish
dc.language.isoen_US
dc.publisherIranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRen_US
dc.relation.ispartofIranian Journal of Chemistry and Chemical Engineering (IJCCE)en_US
dc.subjectHexahydropyrimidineen_US
dc.subjectHirschfield surfaceen_US
dc.subjectNMRen_US
dc.subjectDFTen_US
dc.subjectChemistryen_US
dc.subjectOrganic Chemistryen_US
dc.titleSynthesis, Physico-Chemical, Hirschfield Surface and DFT/B3LYP Calculation of Two New Hexahydropyrimidine Heterocyclic Compoundsen_US
dc.typeTexten_US
dc.typeResearch Articleen_US
dc.contributor.departmentDepartment of Chemistry, AN-Najah National University P.O. Box 7, Nablus, PALESTINEen_US
dc.contributor.departmentDepartment of Chemistry, AN-Najah National University P.O. Box 7, Nablus, PALESTINEen_US
dc.contributor.departmentDepartment of Chemistry, AN-Najah National University P.O. Box 7, Nablus, PALESTINEen_US
dc.contributor.departmentIndustrial Chemistry Department, Faculty of Sciences, Arab American University, P.O. Box. 240, 13 Zababdeh-Jenin, PALESTINEen_US
dc.contributor.departmentDepartment of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, SAUDI ARABIAen_US
dc.contributor.departmentLaboratoire Chimie Matériaux, FSO, Université Mohammed 1ER, Oujda 60000, MOROCCOen_US
dc.contributor.departmentLaboratory of Materials, Nanotechnology, and Environment, Faculty of Sciences, Mohammed V University, Box 1014 Agdal, Rabat, MOROCCOen_US
dc.contributor.departmentLCAE-URAC18, Faculté des Sciences d'Oujda, Université Mohammed Premier, BP 4808, 60046 Oujda, MOROCCOen_US
dc.contributor.departmentLCAE-URAC18, Faculté des Sciences d'Oujda, Université Mohammed Premier, BP 4808, 60046 Oujda, MOROCCOen_US
dc.contributor.departmentLCAE-URAC18, Faculté des Sciences d'Oujda, Université Mohammed Premier, BP 4808, 60046 Oujda, MOROCCOen_US
dc.citation.volume38
dc.citation.issue4
dc.citation.spage59
dc.citation.epage68
nlai.contributor.orcid0000-0001-6882-9868


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