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Steric Effects on Spin States in a Series of Fe(III) Complexes

Dey, B and Cirera, J and Mehta, S and Ferreira, LP and Arumugam, R and Mondal, A and Martinho, PN and Chandrasekhar, V (2023) Steric Effects on Spin States in a Series of Fe(III) Complexes. In: Crystal Growth and Design, 23 (9). pp. 6668-6678.

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Official URL: https://doi.org/10.1021/acs.cgd.3c00555


Spin crossover (SCO) is very sensitive toward electronic and steric effects. The latter can lead to a distorted structure, which in turn can change the electronic properties of the complex possibly leading to a change in the spin state. Herein, we investigated the steric effects of the ligand substituents on the structure and magnetic properties of Fe(III) complexes by applying two different ligand systems. We chose the less bulky N-methylethylenediamine and the bulkier N-phenylethylenediamine and coupled them with 3-methoxysalicylaldehyde affording HL1-HL2, while coupling with 3-ethoxysalicylaldehyde afforded HL3-HL4. Complexes Fe(L1)2NCSe (1) and Fe(L3)2·NCSe·H2O (3·H2O) formed with the less bulky ligand exhibit SCO behavior, while complexes Fe(L2)2NCSe·MeOH (2·MeOH), Fe(L4)2NCSe (4), and Fe(L4)2NCS (5) formed with the bulkier amine stay in the high-spin state. The effect of the bound anion was also investigated for complexes 4 and 5. Both experimental and theoretical methods were employed to understand the observed behavior. © 2023 American Chemical Society.

Item Type: Journal Article
Publication: Crystal Growth and Design
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to the American Chemical Society.
Keywords: Electronic properties; Iron compounds; Selenium compounds; Spin dynamics, Bulky ligands; Crossover behavior; Electronic effects; Experimental methods; High spin state; Ligand substituents; Ligand system; Spin crossovers; Spin state; Steric effect, Ligands
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 05 Nov 2023 05:46
Last Modified: 05 Nov 2023 05:46
URI: https://eprints.iisc.ac.in/id/eprint/83094

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