Diverse coordination of aroylhydrazones toward iron(III) in solid state and in solution: spectrometric, spectroscopic and computational study

Benković, Tomislav; Kontrec, Darko; Kazazić, Saša; Chiş, Vasile; Miljanić, Snežana; Galić, Nives

doi:10.1007/s11030-019-09989-6

Pregled bibliografske jedinice broj: 1035769

Diverse coordination of aroylhydrazones toward iron(III) in solid state and in solution: spectrometric, spectroscopic and computational study

Benković, Tomislav; Kontrec, Darko; Kazazić, Saša; Chiş, Vasile; Miljanić, Snežana; Galić, Nives

Diverse coordination of aroylhydrazones toward iron(III) in solid state and in solution: spectrometric, spectroscopic and computational study // Molecular diversity, 24 (2020), 1253-1263 doi:10.1007/s11030-019-09989-6 (međunarodna recenzija, članak, znanstveni)

CROSBI ID: 1035769 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Diverse coordination of aroylhydrazones toward iron(III) in solid state and in solution: spectrometric, spectroscopic and computational study

Autori
Benković, Tomislav ; Kontrec, Darko ; Kazazić, Saša ; Chiş, Vasile ; Miljanić, Snežana ; Galić, Nives

Izvornik
Molecular diversity (1381-1991) 24 (2020); 1253-1263

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
aroylhydrazones, Fe(III), complexes, UV-Vis, IR and Raman spectroscopy, mass spectrometry, computational methods

Sažetak
The coordination properties of N'-(2-hydroxy-3- methoxyphenylmethylidene)-3- pyridinecarbohydrazide (H2L1), N'-(2-hydroxy-4- methoxyphenylmethylidene)-3- pyridinecarbohydrazide (H2L2), and N'-(2-hydroxy- 5-methoxyphenylmethylidene)-3- pyridinecarbohydrazide (H2L3) towards Fe(III) ions were studied by computational, spectrometric (MS) and spectroscopic methods (UV-Vis, IR and Raman spectroscopy) in solid state and in solution. Free ligands were present in ketoamine form with intramolecular H-bond. In MeOH:H2O 1:1 system, the 1:1 complexes with Fe(III) were formed, characterized by lgK > 6. The coordination to the metal ion was achieved via oxygen and azomethine nitrogen since the hydrolysis of hydrazone bond was supressed. Unlike the 1:1 stoichiometry in methanolic solution, the composition of the complexes extracted to chloroform was Fe(L)(HL). The release of three protons upon complexation was determined by independent spectrophotometric measurements. The complexes isolated from MeOH/EtOH solution have also stoichiometry 1:2. However, depending on the position of the methoxy substituent, two types of complexes were formed. In Fe(H2L1)2Cl3 and Fe(H2L3)2Cl3 hydrazones acted as neutral ligands, while in Fe(HL2)2Cl the keto- enol tautomeric interconversion and release of one proton per ligand took place. All complexes were analysed in gas phase as well, using triple quadrupole, ion trap, and H/D exchange for determination of labile hydrogens. Based on the fragmentation pathways, the structural isomers were distinguished.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA

Projekti:
HrZZ IP-2014-09-4841

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Zagreb

Profili:

Tomislav Benković (autor)