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Title: A 2D rhomboidal system of manganese(II) [Mn(3-MeC6H4COO)2(H2O)2]n with spin canting: rationalization of the magnetic exchange
Author: Garcia-Cirera, B.
Costa Sala, Ramon
Moreira, Ibério de Pinho Ribeiro
Font Bardia, Ma. Mercedes
Corbella i Cordomí, Montserrat
Keywords: Magnetisme
Issue Date: 19-Jan-2018
Publisher: Royal Society of Chemistry
Abstract: 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.
Note: Versió postprint del document publicat a:
It is part of: Dalton Transactions, 2018, vol. 47, num. 11, p. 3717-3724
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ISSN: 1477-9226
Appears in Collections:Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

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