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dc.contributor.authorGholivand, Khodayar
dc.contributor.authorAzadbakht, Masoumeh
dc.contributor.authorMaghsoud, Yazdan
dc.contributor.authorHosseini, Mahdieh
dc.contributor.authorKazak, Canan
dc.date.accessioned2020-06-21T13:04:54Z
dc.date.available2020-06-21T13:04:54Z
dc.date.issued2019
dc.identifier.issn0022-328X
dc.identifier.issn1872-8561
dc.identifier.urihttps://doi.org/10.1016/j.jorganchem.2018.10.012
dc.identifier.urihttps://hdl.handle.net/20.500.12712/11012
dc.descriptionMaghsoud, Yazdan/0000-0002-4051-0844; Hosseini, Mahdieh/0000-0002-6289-2708; Gholivand, Khodayar/0000-0001-8884-7895en_US
dc.descriptionWOS: 000452720300004en_US
dc.description.abstractA series of new bisphosphoramidate and (thio) phosphoramidate derivatives with the general formula R1R2P(X)-Y-P(X)R1R2 have been synthesized and characterized by IR and NMR spectroscopies (L-1-L-12). The crystal structure of compound 1,4-[(C2H5O)(2)P(S)(CH2)(3)NH](2)C4H8N2 (L-4) is also investigated by X-ray diffraction analysis. Two novel organotin(IV) complexes mu-{1,4-[(C6H5)(2)P(O)(CH2)(3)NH](2)C4H8N2}[SnR3Cl](2), R3SnCl (R = phenyl/butyl), C-1 and C-2, respectively, are prepared by the reaction of new diphosphoryl ligand L-1 and R3SnCl under different conditions. C-1 and C-2 are characterized by IR and NMR spectroscopies and X-ray crystallography diffraction analysis. X-ray analysis illustrates that both complexes have similar structures containing binuclear triorganotin(IV) skeletons and ligand coordinates in a bridging mode through two phosphoryl groups. Sn(IV) coordination geometries are distorted trigonal bipyramidal (TBP) for C-1, and C-2 structures contained binuclear arrangement with two SnPh3Cl/SnBu3Cl groups linked via the bridging diphosphoryl ligand. The organization of the crystal structures and the intermolecular interactions are discussed. Hirshfeld surfaces and two-dimensional fingerprint plots are used to study short intermolecular contacts in C-1, C-2, and L-4. Finally, the influence of chain length and the effects of various substituents on P=O and P=S bond strength in synthesized ligands (L-1-L-12) and optimized ligands (L-13-L-17) are theoretically investigated by NBO analysis to survey the character of mentioned bonds in these ligands. The AIM analysis is also used to determine the nature of the P=O bond in L-1 and also P=O and O center dot center dot center dot Sn4+ bonds in C-1 and C-2. Results show ionic character for O center dot center dot center dot Sn4+ interaction in both complexes and mostly electrostatic character for P=O bond in the free ligand, but with a little shift to the covalent character after the complexation. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipTarbiat Modares Universityen_US
dc.description.sponsorshipFinancial support of this work by Tarbiat Modares University is gratefully acknowledged.en_US
dc.language.isoengen_US
dc.publisherElsevier Science Saen_US
dc.relation.isversionof10.1016/j.jorganchem.2018.10.012en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectTriorganotin(IV)en_US
dc.subjectBisphosphoramidateen_US
dc.subjectCrystal structureen_US
dc.subjectHirshfeld surfacesen_US
dc.subjectTheoretical studiesen_US
dc.titleSynthesis, characterization, crystal structures, Hirshfeld surface analysis and theoretical calculations of some new bisphosphoramidate derivatives and novel binuclear triorganotin(IV) complexes with diphosphoryl liganden_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume879en_US
dc.identifier.startpage27en_US
dc.identifier.endpage39en_US
dc.relation.journalJournal of Organometallic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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