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Octahedral iron(II) complexes with pyridyl triazine and bipyridine ligands – synthesis, computational studies, mechanisms and kinetics with 1,10-phenanthroline and 2,2′,6,2″-terpyridine

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dc.contributor.authorBellam, Rajesh.
dc.contributor.authorSivamadhavi, Surapureddy.
dc.contributor.authorRamakrishna, Saladi.
dc.contributor.authorMambanda, Allen.
dc.contributor.authorJaganyi, Deogratius.
dc.contributor.authorAnipindi, Nageswararao.
dc.date.accessioned2024-06-26T07:44:08Z
dc.date.available2024-06-26T07:44:08Z
dc.date.issued2017-05-07
dc.description.abstract[Bis(3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine)(2,2′-bipyridine)iron(II)], [Fe(PDT)2(bpy)]2+ (1), [bis(3-(4-phenyl-2-pyridyl)-5,6-diphenyl-1,2,4-triazine)(2,2′-bipyridine)iron(II)], [Fe(PPDT)2(bpy)]2+ (2), [bis(2,2′-bipyridine)(3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine)iron(II)], [Fe(PDT)(bpy)2]2+ (3), and [bis(2,2′-bipyridine)(3-(4-phenyl-2-pyridyl)-5,6-diphenyl-1,2,4-triazine)iron(II)], [Fe(PPDT)(bpy)2]2+ (4) have been synthesized and characterized. Substitution of the triazine and bipyridine ligands from the complexes by nucleophiles (nu), namely 1,10-phenanthroline (phen) and 2,2′,6,2″-terpyridine (terpy) was studied in a sodium acetate-acetic acid buffer over the pH range 3–6 at 25, 35, and 45°C under pseudo-first order conditions. Reactions are first order in the concentration of complexes 1–4. The reaction rates increase with increasing [nu] and pH whereas ionic strength has no effect on the rate. Straight-line plots with positive slopes are observed when the kobs values are plotted against [nu] or 1/[H+]. The substitution reactions proceed by dissociative as well as associative paths and the latter path is predominant. Observed low Ea values and negative ΔS# values support the dominance of the associative path. Phenyl groups on the triazine ring modulate the reactivity of the complexes. The π-electron cloud on the phenyl rings stabilizes the charge on metal center by inductive donation of electrons toward the metal center, resulting in a decrease in reactivity of the complex and the order is 1 < 2 < 3 < 4. Density functional theory (DFT) calculations also support the interpretations drawn from the kinetic data.
dc.identifier.citationRajesh Bellam, Nageswara Rao Anipindi & Deogratius Jaganyi. (2017) Base hydrolysis of tris(3-(2-pyridyl)-5,6-bis(4-phenyl sulphonic acid)-1,2,4-triazine)iron(II) in aqueous, SDS and CTAB media: kinetic and mechanistic study. Transition Metal Chemistry 42:8, pages 719-725.
dc.identifier.urihttps://doi.org/10.1080/00958972.2017.1324954
dc.identifier.urihttps://erepository.mku.ac.ke/handle/123456789/5937
dc.language.isoen
dc.publisherJournal of Coordination Chemistry
dc.titleOctahedral iron(II) complexes with pyridyl triazine and bipyridine ligands – synthesis, computational studies, mechanisms and kinetics with 1,10-phenanthroline and 2,2′,6,2″-terpyridine
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