Issue 6, 2021, Issue in Progress

Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

Abstract

The crystal structure and magnetic properties of two mononuclear iron(III) Schiff base complexes, [FeL1(NCS)2] (1), HL1 = 2-[1-[[2-[(2-aminoethyl)amino]ethyl]imino]ethyl]phenol and [FeL2(N3)Cl] (2), HL2 = 2-(-1-(2-(2-aminoethylamino)ethylimino)ethyl)-4-methylphenol are reported. Each complex contains a Fe(III) ion surrounded by a N3O Schiff base ligand and two NCS ligands (in 1) or one N3 and one Cl ligands (in 2). The magnetic properties can be well reproduced with zero field splittings in the high spin S = 5/2 Fe(III) ions and weak intermolecular Fe–Fe interactions mediated by hydrogen bonds. This intermolecular antiferromagnetic interaction has been validated by using DFT calculations in complex 2. Moreover, the interaction energies of the H-bonded dimers in both complexes have been estimated using DFT calculations and characterized using a combination of QTAIM and NCI plot computational tools. Complexes 1 and 2 constitute two rare examples of Fe(III) complexes with magnetic interactions through H-bonds.

Graphical abstract: Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

Supplementary files

Article information

Article type
Paper
Submitted
05 Nov 2020
Accepted
24 Dec 2020
First published
15 Jan 2021
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2021,11, 3315-3323

Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(III) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight

T. Basak, C. J. Gómez-García, R. M. Gomila, A. Frontera and S. Chattopadhyay, RSC Adv., 2021, 11, 3315 DOI: 10.1039/D0RA09425K

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