New macrocyclic schiff base complexes incorporating a homopiperazine unit: Synthesis of some Co(II), Ni(II),Cu(II) and Zn(II) complexes and crystal structure and theoretical studies

dc.authoridBayat, Mehdi -- 0000-0002-5032-6522; Ozcelik, Nefise -- 0000-0002-6972-1071; keypour, Hassan -- 0000-0001-9973-241X
dc.contributor.authorKeypour, Hassan
dc.contributor.authorRezaeivala, Majid
dc.contributor.authorRamezani-Aktij, Ameneh
dc.contributor.authorBayat, Mehdi
dc.contributor.authorDilek, Nefise
dc.contributor.authorÜnver, Huseyin
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-29T19:27:07Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-29T19:27:07Z
dc.date.issued2016
dc.departmentSabire Yazıcı Fen Edebiyat Fakültesi
dc.description.abstractA new macrocyclic Schiff base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl)homopiperazine and 1,4-diaminobutane in acetonitrile. The Schiff base ligand was characterized by using elemental analyses, FT-IR, H-1, C-13 NMR and mass spectroscopic techniques. The metal (II) complexes [ML], were synthesized from the reaction of MCl2 center dot nH(2)O (M: Co, Ni, Cu and Zn) with Schiff base ligand, L and characterized by elemental analyses and FT-IR. X-ray crystal structure of [CoLCl](+) distorted square pyramidal geometry with an N4Cl core, arising from coordination by the four donor nitrogen atoms from the macrocyclic framework and one Cl atom. It crystallizes triclinic space group, P-1 with a = 7.1777(1) angstrom, b = 11.0357 (2) angstrom, c = 15.1520(2) angstrom, V = 1183.14(3), Z = 2, D-c = 1.556 g cm(-3), mu (MoK alpha) = 0.156 mm(-1). Also, the bonding situation between the [MCl](+) and Ligand (L) fragments in [MLCl]ClO4 (M = Co(II), Ni(II), Cu(II), Zn(II)) complexes were carried out by energy-decomposition analysis (EDA). The results showed that there is an increasing trend in the case of Delta E-elstat of the complexes by changing the M from Co(II) to Zn(II). (C) 2016 Elsevier B.V. All rights reserved.
dc.description.sponsorshipfaculty of chemistry, Bu-Ali Sina University, Hamedan, Iran; Ministry of Science, Research and Technology of Iran; State of Planning Organization [2010K120480]
dc.description.sponsorshipWe are grateful to the faculty of chemistry, Bu-Ali Sina University, Hamedan, Iran and Ministry of Science, Research and Technology of Iran for financial support and the Aksaray University, Science and Technology Application and Research Center, Turkey, for the use of the Bruker Smart Breeze diffractometer (purchased under grant 2010K120480 of the State of Planning Organization).
dc.identifier.doi10.1016/j.molstruc.2016.02.071
dc.identifier.endpage186en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopusqualityQ1
dc.identifier.startpage180en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.02.071
dc.identifier.urihttps://hdl.handle.net/20.500.12451/5792
dc.identifier.volume1115en_US
dc.identifier.wosWOS:000374612400020
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.ispartofJournal of Molecular Structure
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectHomopiperazine
dc.subjectMacrocyclic schiff Base
dc.subjectMetal Complexes
dc.subjectX-ray Crystal Structure
dc.subjectTheoretical studies
dc.titleNew macrocyclic schiff base complexes incorporating a homopiperazine unit: Synthesis of some Co(II), Ni(II),Cu(II) and Zn(II) complexes and crystal structure and theoretical studies
dc.typeArticle

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