Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Akhilesh Kumar | * |
dc.date.accessioned | 2023-07-31T16:31:25Z | - |
dc.date.available | 2023-07-31T16:31:25Z | - |
dc.date.issued | 2023 | * |
dc.identifier.issn | 2228-2860 | * |
dc.identifier.other | OAK-33427 | * |
dc.identifier.uri | https://dspace.ewha.ac.kr/handle/2015.oak/265410 | - |
dc.description.abstract | Three dinuclear complexes of formula [FeIII2(µ-O)(µ-OOCR)(L)2](ClO4)·G, with R/G=H/(EtOAc)2 (1·2EtOAc), CH3/(Et2O)2 (2·2Et2O) and C6H5/(CH3OH)2(CH3CN)2 (3·2CH3OH·2CH3CN), [where HL = 2-((((1-methylbenzimidazol-2-yl)methyl)(pyridin-2-ylmethyl)amino)methyl)phenol] have been prepared. The ligand provides a N,N,N,O donor set in its deprotonated form. X-ray diffraction analyses revealed that the complexes have a similar oxido-carboxylato-bridged structure where each metal ion has a tertiary amine, one imidazolyl N atom, one pyridyl N atom and a phenolate O atom as terminal coordination. Thus, each metal centre assumes a FeIIIN3O3 coordination in an octahedral environment. Addition of acid lead to the generation of similar dinuclear complexes formulated as [FeIII2(µ-OH)(µ-OOCR)(L)2](ClO4)2, with R=H (1H), CH3 (2H) and C6H5 (3H) in solution. This protonation of the µ-O bridge is reversible and addition of base regenerates the original complexes (1–3). Magnetic measurements showed intramolecular antiferromagnetic Fe···Fe interactions in compounds 1–3 with J = ‒276(1), ‒197(1) and ‒190(1) cm−1, respectively. DFT/B3LYP calculation helped us to explicitly state the sign and magnitude of the magnetic coupling constants along with an approaching to the spin density distribution. © 2023 Elsevier B.V. | * |
dc.language | English | * |
dc.publisher | Elsevier B.V. | * |
dc.subject | Broken symmetry | * |
dc.subject | DFT | * |
dc.subject | Dinuclear iron complexes | * |
dc.subject | Magnetic properties | * |
dc.subject | pH-controlled | * |
dc.subject | Reversible interconversion | * |
dc.title | Magnetic properties and pH-controlled reversible interconversion of µ-oxido into µ-hydroxido in oxo-carboxylato bridged iron(III) dimers: Theoretical and experimental insights | * |
dc.type | Article | * |
dc.relation.volume | 1285 | * |
dc.relation.index | SCIE | * |
dc.relation.index | SCOPUS | * |
dc.relation.journaltitle | Journal of Molecular Structure | * |
dc.identifier.doi | 10.1016/j.molstruc.2023.135426 | * |
dc.identifier.wosid | WOS:000976960500001 | * |
dc.identifier.scopusid | 2-s2.0-85151781881 | * |
dc.author.google | Richa | * |
dc.author.google | Kumar A. | * |
dc.author.google | Verma I. | * |
dc.author.google | Garg P. | * |
dc.author.google | Erande R.D. | * |
dc.author.google | Javed S. | * |
dc.author.google | Rajput A. | * |
dc.author.google | Garcia C.J.G. | * |
dc.author.google | Mota A.J. | * |
dc.author.google | Arora H. | * |
dc.contributor.scopusid | Akhilesh Kumar(57214420178) | * |
dc.date.modifydate | 20240405103718 | * |