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001-es BibID:BIBFORM110272
035-os BibID:(cikkazonosító)1477 (WoS)000930056200001 (Scopus)85147892443
Első szerző:Bíró Linda (vegyész)
Cím:Interaction between [(eta(6)-p-cym)M(H2O)(3)](2+) (M-II = Ru, Os) or [(eta(5)-Cp*)M(H2O)(3)](2+) (M-III = Rh, Ir) and Phosphonate Derivatives of Iminodiacetic Acid: A Solution Equilibrium and DFT Study / Linda Bíró, Botond Tóth, Norbert Lihi, Etelka Farkas, Péter Buglyó
Dátum:2023
ISSN:1420-3049
Megjegyzések:The pH-dependent binding strengths and modes of the organometallic [(eta(6)-p-cym)M(H2O)(3)](2+) (M-II = Ru, Os; p-cym = 1-methyl-4-isopropylbenzene) or [(eta(5)-Cp*)M(H2O)(3)](2+) (M-III = Rh, Ir; Cp* = pentamethylcyclopentadienyl anion) cations towards iminodiacetic acid (H(2)Ida) and its biorelevant mono- and diphosphonate derivatives N-(phosphonomethyl)-glycine (H(3)IdaP) and iminodi(methylphosphonic acid) (H(4)Ida2P) was studied in an aqueous solution. The results showed that all three of the ligands form 1:1 complexes via the tridentate (O,N,O) donor set, for which the binding mode was further corroborated by the DFT method. Although with IdaP(3-) and Ida2P(4-) in mono- and bis-protonated species, where H+ might also be located at the non-coordinating N atom, the theoretical calculations revealed the protonation of the phosphonate group(s) and the tridentate coordination of the phosphonate ligands. The replacement of one carboxylate in Ida(2-) by a phosphonate group (IdaP(3-)) resulted in a significant increase in the stability of the metal complexes; however, this increase vanished with Ida2P(4-), which was most likely due to some steric hindrance upon the coordination of the second large phosphonate group to form (5 + 5) joined chelates. In the phosphonate-containing systems, the neutral 1:1 complexes are the major species at pH 7.4 in the millimolar concentration range that is supported by both NMR and ESI-TOF-MS.
Tárgyszavak:Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
folyóiratcikk
IDA-based
phosphonates
organoruthenium
organorhodium
solution equilibrium
complex
Megjelenés:Molecules. - 28 : 3 (2023), p. 1-17-. -
További szerzők:Tóth Botond Lihi Norbert (1990-) (vegyész) Farkas Etelka (1948-) (vegyész) Buglyó Péter (1965-) (vegyész)
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