Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

A Magnetic Ni-based Metal-Organic Framework with Interesting Transformation Dynamics

Version 1 : Received: 7 August 2023 / Approved: 8 August 2023 / Online: 8 August 2023 (11:11:15 CEST)

A peer-reviewed article of this Preprint also exists.

Pajuelo-Corral, O.; Vitorica-Yrezabal, I.J.; Rodríguez-Diéguez, A.; Seco, J.M.; Cepeda, J. A Magnetic Ni-Based Metal-Organic Framework with Interesting Transformation Dynamics. Inorganic Chemistry Communications 2023, 111872, doi:10.1016/j.inoche.2023.111872. Pajuelo-Corral, O.; Vitorica-Yrezabal, I.J.; Rodríguez-Diéguez, A.; Seco, J.M.; Cepeda, J. A Magnetic Ni-Based Metal-Organic Framework with Interesting Transformation Dynamics. Inorganic Chemistry Communications 2023, 111872, doi:10.1016/j.inoche.2023.111872.

Abstract

Herein, we report on a versatile system composed of two Ni(II)-based coordination compounds: a 3D metal-organic framework of {[Ni(μ-3isoani)2]·DMF}n (1) formula and a 0D monomeric [Ni(3isoani)2(H2O)4] (2) complex (where 3isoani = 3-aminoisonicotinato and DMF = dimethylformamide) which show mutual solvent-induced reversible transformations into each other. These 1 ↔ 2 transformations are triggered by the exposure of one compound to the solvent present in the other, that is, the MOF (1) in water and the monomer (2) in DMF. The process is easily followed by the naked eye because it involves a colour change from green (1)-to-brownish green (2), making the system potentially interesting to act as a sensor of those solvents. Moreover, these compounds present very different magnetic properties since 1 shows field-induced single-molecule magnet (SMM) behaviour, which corresponds to one of the few Ni(II)-based compounds showing this property, whereas 2 behaves as a regular paramagnet, all of which is explained according to a careful study of the magnetic properties by means of experimental direct-current (dc) and alternating-current (ac) measurements as well as complete active space self-consistent field (CASSCF) calculations.

Keywords

Ni(II)-based SIM; slow magnetic relaxation; metal-organic framework (MOF); Solvent-triggered reversible transformations; Colorimetric sensing; CASSCF/NEVPT2

Subject

Chemistry and Materials Science, Inorganic and Nuclear Chemistry

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