dc.contributor.author | Benyza, N. | |
dc.contributor.author | Messai, A. | |
dc.contributor.author | Hamdaoui, A. | |
dc.contributor.author | Lanez, T. | |
dc.contributor.author | Sayin, K. | |
dc.date.accessioned | 2019-07-27T12:10:23Z | |
dc.date.accessioned | 2019-07-28T09:44:18Z | |
dc.date.available | 2019-07-27T12:10:23Z | |
dc.date.available | 2019-07-28T09:44:18Z | |
dc.date.issued | 2017 | |
dc.identifier.issn | 1112-9867 | |
dc.identifier.uri | https://dx.doi.org/10.4314/jfas.v9i2.11 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12418/7009 | |
dc.description | WOS: 000404615800011 | en_US |
dc.description.abstract | The 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.iso | eng | en_US |
dc.publisher | UNIV EL OUED, FAC SCIENCE & TECHNOLOGY | en_US |
dc.relation.isversionof | 10.4314/jfas.v9i2.11 | en_US |
dc.rights | info:eu-repo/semantics/openAccess | en_US |
dc.subject | Manganese complex | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | DFT method | en_US |
dc.subject | B3LYP functional | en_US |
dc.subject | 6-31G(d,p) and (LANL2DZ) basis | en_US |
dc.title | SYNTHESIS, QUANTUM CHEMICAL COMPUTATIONS AND X-RAY CRYSTALLOGRAPHIC STUDIES OF A NEW COMPLEX BASED OFMANGANESE ( plus II) | en_US |
dc.type | article | en_US |
dc.relation.journal | JOURNAL OF FUNDAMENTAL AND APPLIED SCIENCES | en_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, Turkey | en_US |
dc.identifier.volume | 9 | en_US |
dc.identifier.issue | 2 | en_US |
dc.identifier.endpage | 789 | en_US |
dc.identifier.startpage | 770 | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |