Publication:
Synthesis, Molecular Structure and Quantum Chemical Studies of N-(2

Simple item page
dc.authorscopusid26030095000
dc.authorscopusid57189590093
dc.authorscopusid57205390951
dc.authorscopusid8338164600
dc.authorwosidTanak, Hasan/Hsa-7286-2023
dc.authorwosidMeral, Seher/Mij-8308-2025
dc.contributor.authorHasan Tanak
dc.contributor.authorKaratas, Sadiye
dc.contributor.authorMeral, Seher
dc.contributor.authorAgar, Aysen Alaman
dc.date.accessioned2025-12-11T00:44:05Z
dc.date.issued2020
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Hasan Tanak; Karatas, Sadiye] Amasya Univ, Fac Arts & Sci, Dept Phys, TR-05100 Amasya, Turkey; [Meral, Seher; Agar, Aysen Alaman] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Chem, Samsun, Turkeyen_US
dc.description.abstractN-(2-Fluorophenyl)-1-(5-nitrothiophen-2-yl)methanimine has been synthesized and characterized by single-crystal X-ray determination. Molecular geometry from X-ray determination of the title compound have been compared using the Hartree-Fock (HF) and density functional theory (B3LYP) method with 6-311++G(d,p) basis set. Calculated results show that density functional theory (DFT) at B3LYP/6-311++G(d,p) level can well reproduce the structure of the title compound. Besides, Mulliken atomic charges, molecular electrostatic potential, and chemical reactivity descriptors (chemical hardess, chemical softness, electronegativity) were also predicted theoretically.en_US
dc.description.sponsorshipResearch Centre of Amasya University [FMB-BAP 18-0343]en_US
dc.description.sponsorshipThis study was supported financially by the Research Centre of Amasya University (project no. FMB-BAP 18-0343).en_US
dc.description.woscitationindexScience Citation Index Expanded
dc.identifier.doi10.1134/S106377452007024X
dc.identifier.endpage1216en_US
dc.identifier.issn1063-7745
dc.identifier.issn1562-689X
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-85096526329
dc.identifier.scopusqualityQ4
dc.identifier.startpage1212en_US
dc.identifier.urihttps://doi.org/10.1134/S106377452007024X
dc.identifier.urihttps://hdl.handle.net/20.500.12712/38870
dc.identifier.volume65en_US
dc.identifier.wosWOS:000592546300023
dc.identifier.wosqualityQ4
dc.language.isoenen_US
dc.publisherPleiades Publishing Incen_US
dc.relation.ispartofCrystallography Reportsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleSynthesis, Molecular Structure and Quantum Chemical Studies of N-(2en_US
dc.typeArticleen_US
dspace.entity.typePublication

Files

Collections

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu