dc.contributor.author | Gholivand, Khodayar | |
dc.contributor.author | Azadbakht, Masoumeh | |
dc.contributor.author | Maghsoud, Yazdan | |
dc.contributor.author | Hosseini, Mahdieh | |
dc.contributor.author | Kazak, Canan | |
dc.date.accessioned | 2020-06-21T13:04:54Z | |
dc.date.available | 2020-06-21T13:04:54Z | |
dc.date.issued | 2019 | |
dc.identifier.issn | 0022-328X | |
dc.identifier.issn | 1872-8561 | |
dc.identifier.uri | https://doi.org/10.1016/j.jorganchem.2018.10.012 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/11012 | |
dc.description | Maghsoud, Yazdan/0000-0002-4051-0844; Hosseini, Mahdieh/0000-0002-6289-2708; Gholivand, Khodayar/0000-0001-8884-7895 | en_US |
dc.description | WOS: 000452720300004 | en_US |
dc.description.abstract | A 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.sponsorship | Tarbiat Modares University | en_US |
dc.description.sponsorship | Financial support of this work by Tarbiat Modares University is gratefully acknowledged. | en_US |
dc.language.iso | eng | en_US |
dc.publisher | Elsevier Science Sa | en_US |
dc.relation.isversionof | 10.1016/j.jorganchem.2018.10.012 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Triorganotin(IV) | en_US |
dc.subject | Bisphosphoramidate | en_US |
dc.subject | Crystal structure | en_US |
dc.subject | Hirshfeld surfaces | en_US |
dc.subject | Theoretical studies | en_US |
dc.title | Synthesis, characterization, crystal structures, Hirshfeld surface analysis and theoretical calculations of some new bisphosphoramidate derivatives and novel binuclear triorganotin(IV) complexes with diphosphoryl ligand | en_US |
dc.type | article | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 879 | en_US |
dc.identifier.startpage | 27 | en_US |
dc.identifier.endpage | 39 | en_US |
dc.relation.journal | Journal of Organometallic Chemistry | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |