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dc.contributor.author하산 르가즈-
dc.date.accessioned2022-08-11T01:50:52Z-
dc.date.available2022-08-11T01:50:52Z-
dc.date.issued2021-09-
dc.identifier.citationCRYSTALS, v. 11, NO 10, Page. 1179-1179en_US
dc.identifier.issn20734352-
dc.identifier.urihttps://www.proquest.com/docview/2584342777?accountid=11283-
dc.identifier.urihttps://repository.hanyang.ac.kr/handle/20.500.11754/172379-
dc.description.abstractThe reaction of bidentate N-S-thione-Schiff base, (E)-benzyl 2-(1-(4-chlorophenyl)- ethylidene)hydrazinecarbodithioate, with Cu(NO3 )2 ·3H2O produced a cis-Cu(II) complex. The molecular structure was confirmed and characterized by CHN-EA, FAB-MS, IR, and UV-Vis analyses. The XRD supported cis-isomer of the bis anionic bidentate N (azomethine) and S (thiol) ligand coordination mode in tetrahedrally distorted square planar, rarely reported in the literature. The results of the XRD-bond lengths were in perfect agreement with the density functional theory (DFT) calculation. DFT-calculated angles around the Cu(II) center displayed slightly less distortion around the metal center from those of XRD. Additionally, the thermal stability of the complex was evaluated via thermal gravimetric analysis (TGA). Two-dimensional fingerprint (2D-FP), Hirshfeld surface analysis (HSA), and molecular electrostatic potential (MEP) support the XRD-packing results with the existence of the H· · · Cl and CH· · · π bonds as the main interactions in the crystal lattice of the desired complex.en_US
dc.description.sponsorshipThe authors extend their sincere thanks to Ulrich Flörke Department Chemie, Universität Paderborn, Warburger Strasse 100, 33098 Paderborn, Germany for solving the crystal structure of the complex. Similar thanks go to the staff members at Chemistry department, Faculty of Science, Benghazi University, Huda Muftah Sheppaek, Wjdan Omar Algezzeri, and Iman Mahmoud, for their help in preparing the Schiff base, and special thanks go to Manchester salt and Catalysis Ltd, UK. The authors extend their appreciation to the Researchers Supporting Project number (RSP2021/396), King Saud University, Riyadh, Saudi Arabia.en_US
dc.language.isoenen_US
dc.publisherMDPIen_US
dc.subjectCopper(II)en_US
dc.subjectDFTen_US
dc.subjecthydrazonodithioateen_US
dc.subjecttetrahedrally distorted square planaren_US
dc.subjectHirshfeld surface analysisen_US
dc.titleSpectroscopic Insight into Tetrahedrally Distorted Square Planar Copper(II) Complex: XRD/HSA, Physicochemical, DFT, and Thermal Investigationsen_US
dc.typeArticleen_US
dc.relation.no10-
dc.relation.volume11-
dc.identifier.doi10.3390/cryst11101179-
dc.relation.page1179-1179-
dc.relation.journalCRYSTALS-
dc.contributor.googleauthorBoshaala, Ahmed-
dc.contributor.googleauthorAbrahem, Abrahem F.-
dc.contributor.googleauthorAlmughery, Abdulla Ali-
dc.contributor.googleauthorAl-Zaqri, Nabil-
dc.contributor.googleauthorZarrouk, Abdelkader-
dc.contributor.googleauthorLgaz, Hassane-
dc.contributor.googleauthorWarad, Ismail-
dc.relation.code2021007013-
dc.sector.campusE-
dc.sector.daehakOFFICE OF ACADEMIC AFFAIRS[E]-
dc.sector.departmentCENTER FOR CREATIVE CONVERGENCE EDUCATION-
dc.identifier.pidhlgaz-
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OFFICE OF ACADEMIC AFFAIRS[E](교무처) > Center for Creative Convergence Education(창의융합교육원) > Articles
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