A 2D rhomboidal system of manganese(II) [Mn(3-MeC<inf>6</inf>H<inf>4</inf>COO)<inf>2</inf>(H<inf>2</inf>O)<inf>2</inf>]<inf>: N</inf> with spin canting: Rationalization of the magnetic exchange

Beltzane Garcia-Cirera, Ramon Costa, Ibério De P.R. Moreira, Mercè Font-Bardia, Montserrat Corbella

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    Abstract

    © 2018 The Royal Society of Chemistry. The crystal structure of Mn(ii) carboxylate with 3-methylbenzoate as a bridging ligand [Mn(3-MeC6H4COO)2(H2O)2]n shows a rhomboidal layer, where each pair of neighbor Mn(ii) ions are bridged through only one carboxylate group with a syn-anti conformation. The magnetic exchange between neighbor ions is weakly antiferromagnetic (J = -0.52 cm-1, g = 2.04), and at low temperature the system shows spin canting with TB = 3.8 K. Computational studies, based on periodic calculations of the energies of the significant spin states on the magnetic cell and some higher supercells, corroborate the weak AF interaction between the adjacent Mn(ii) ions and preclude the negligible effect of frustration caused by very weak interactions between the non-adjacent ions in the magnetic response of the system. The results provide compelling evidence that the observed spin canting is due to the local coordination geometry of the manganese ions leading to two antiferromagnetically coupled subnets with different axial vectors.
    Original languageEnglish
    Pages (from-to)3717-3724
    JournalDalton Transactions
    Volume47
    Issue number11
    DOIs
    Publication statusPublished - 1 Jan 2018

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