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dc.contributor.authorBenyza, N.
dc.contributor.authorMessai, A.
dc.contributor.authorHamdaoui, A.
dc.contributor.authorLanez, T.
dc.contributor.authorSayin, K.
dc.date.accessioned2019-07-27T12:10:23Z
dc.date.accessioned2019-07-28T09:44:18Z
dc.date.available2019-07-27T12:10:23Z
dc.date.available2019-07-28T09:44:18Z
dc.date.issued2017
dc.identifier.issn1112-9867
dc.identifier.urihttps://dx.doi.org/10.4314/jfas.v9i2.11
dc.identifier.urihttps://hdl.handle.net/20.500.12418/7009
dc.descriptionWOS: 000404615800011en_US
dc.description.abstractThe ligand oxime, C7H9N5O2, was Synthesis and characterises with different characterization methods such as H-1 NMR and FTIR spectroscopy. The complexation of this ligand with manganese (II) perchlorate yielded pink crystals of formula [Mn (C7H9N5O2) 2](2+), 2[ClO4](-), which crystallized in the monoclinic space group P21/n with a = 12.824(3), b=13.799(2), c=15.441(4) angstrom, beta = 100.17(2), and Z = 4. The complex consists of cations (+II) and two perchlorate anions, the cations part existing in a slightly distorted octahedral complex. Computational investigations of manganese (II) complex are done by using the DFTmethod with B3LYP functional in conjunction with the 6-31G(d,p) and lanl2dz basis sets in the gas phase imposing the C1 and C-2v symmetries.en_US
dc.language.isoengen_US
dc.publisherUNIV EL OUED, FAC SCIENCE & TECHNOLOGYen_US
dc.relation.isversionof10.4314/jfas.v9i2.11en_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectManganese complexen_US
dc.subjectCrystal structureen_US
dc.subjectDFT methoden_US
dc.subjectB3LYP functionalen_US
dc.subject6-31G(d,p) and (LANL2DZ) basisen_US
dc.titleSYNTHESIS, QUANTUM CHEMICAL COMPUTATIONS AND X-RAY CRYSTALLOGRAPHIC STUDIES OF A NEW COMPLEX BASED OFMANGANESE ( plus II)en_US
dc.typearticleen_US
dc.relation.journalJOURNAL OF FUNDAMENTAL AND APPLIED SCIENCESen_US
dc.contributor.department[Benyza, N. -- Messai, A. -- Hamdaoui, A.] Univ Abbes Laghrour, Inst Sci & Technol, Lab ISMA, Khenchela 40000, Algeria -- [Benyza, N. -- Lanez, T.] Univ El Oued, Fac Exact Sci, Dept Chem, VTRS Lab, POB 789, El Oued 39000, Algeria -- [Sayin, K.] Cumhuriyet Univ, Inst Sci, Dept Chem, TR-58140 Sivas, Turkeyen_US
dc.identifier.volume9en_US
dc.identifier.issue2en_US
dc.identifier.endpage789en_US
dc.identifier.startpage770en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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