20.500.12556/RUL-131179 Synthesis and structural evaluation of organo-ruthenium complexes with ß-diketonates Four novel ruthenium organometallic complexes: [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-bromophenyl)-1,3-butanedione)Cl] (1), [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-bromophenyl)-1,3-butanedione)pta]PF$_6$ (2), [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-iodophenyl)-1,3-butanedione)Cl] (3) and [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-iodophenyl)-1,3-butanedione)pta]PF$_6$ (4) were synthesized and characterized by elemental analysis, infrared (IR), UV-Vis, NMR and mass spectroscopy and single-crystal X-ray diffraction. The crystal structures and spectroscopic data were compared to the previously published complexes [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-chloro-phenyl)-1,3-butanedione)Cl] (5) and [(η$^6$-p-cymene)Ru(4,4,4-trifluoro-1-(4-chlorophenyl)-1,3-butanedione)pta]PF$_6$ (6). The pairs of complexes 1 and 3 as well as 2 and 4 are isostructural, with the former crystallizing in triclinic P-1 and the latter in monoclinic P2$_1$/c. The ruthenium(II) ion is found in a pseudo-octahedral “piano-stool” geometry in all compounds. Bond lengths and angles are consistent with other complexes of this type. Complexes 2 and 4 exhibit some moderate dynamic disorder. The lack of hydrogen bonding and major π-π interactions means that most of intramolecular interactions are fairly weak and involve halogen atoms present. This was further confirmed by $^1$H-NMR spectra, where a significant difference is observed only on the ligand near the halogen atom, following an expected trend. The combined data show that the difference in any activity depends substantially on the type of the ligand′s substituted halogen atom. organoruthenium complexes ß-diketonate ligands halogen substituents 1 3 5-triazaphosphoadamantane (pta) ligand disorder organorutenijevi kompleksi ß-diketonatni ligandi halogenski substituenti 1 3 5-triazafosfoadamantan (pta) ligand nered true false true Angleški jezik Slovenski jezik Članek v reviji 2021-09-23 09:05:33 2021-09-23 09:05:34 2022-09-10 04:10:27 0000-00-00 00:00:00 2017 0 0 12 str. iss. 2, art. 326 Vol. 22 2017 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 546.96:547-316 1420-3049 10.3390/molecules22020326 1537371075 RAZ_Ursic_Matija_2017.pdf RAZ_Ursic_Matija_2017.pdf 1 A6E2F7AF8DA58307F4F8B6DE958F06E4 24bee7f53fe6e6579826e4013e27cd2bd12200ca29f3345d83e77f1fabf05464 b6ee4325-1c3c-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=148445 http://www.mdpi.com/1420-3049/22/2/326 0 6072e0d6-1c3c-11ec-a523-00155dcfd717 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=148444 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0