title: A candidate for a single-chain magnet: [Mn3(OAc)6(py)2(H2O)2]n (OAc is acetate and py is pyridine).
abstract: The title complex, catena-poly[di-μ3-acetato-κ(6)O:O:O'-tetra-μ2-acetato-κ(4)O:O;κ(4)O:O'-diaquabis(pyridine-κN)trimanganese(II)], [Mn3(CH3COO)6(C6H5N)2(H2O)2]n, is a true one-dimensional coordination polymer, in which the Mn(II) centres form a zigzag chain along [010]. The asymmetric unit contains two metal centres, one of which (Mn1) lies on an inversion centre, while the other (Mn2) is placed close to an inversion centre on a general position. Since all the acetates behave as bridging ligands, although with different μ2- and μ3-coordination modes, a one-dimensional polymeric structure is formed, based on trinuclear repeat units (Mn1...Mn2...Mn2'), in which the Mn2 and Mn2' sites are related by an inversion centre. Within this monomeric block, the metal-metal separations are Mn1...Mn2 = 3.36180 (18) Å and Mn2...Mn2' = 4.4804 (3) Å. Cation Mn1, located on an inversion centre, displays an [MnO6] coordination sphere, while Mn2, on a general position, has a slightly stronger [MnO5N] ligand field, as the sixth coordination site is occupied by a pyridine molecule. Both centres approximate an octahedral ligand field. The chains are parallel in the crystal structure and interact via hydrogen bonds involving coordinated water molecules. However, the shortest metal-metal separation between two chains [5.3752 (3) Å] is large compared with the intrachain interactions. These structural features are compatible with a single-chain magnet behaviour, as confirmed by preliminary magnetic studies.
authors.affiliation: Centro de Química, Instituto de Ciencias, Universidad Autónoma de Puebla, Edif. 194 Complejo de Ciencias CU, San Manuel, 72570 Puebla, Pue., Mexico.
authors.forename: Judith
authors.initials: J
authors.lastname: Caballero-Jiménez
authors.affiliation: Centro de Química, Instituto de Ciencias, Universidad Autónoma de Puebla, Edif. 194 Complejo de Ciencias CU, San Manuel, 72570 Puebla, Pue., Mexico.
authors.forename: Yasmi
authors.initials: Y
authors.lastname: Reyes Ortega
authors.affiliation: DEP Facultad de Ciencias Químicas, UANL, Guerrero y Progreso S/N, Col. Treviño, 64570 Monterrey, NL, Mexico.
authors.forename: Sylvain
authors.initials: S
authors.lastname: Bernès
authors.affiliation: Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior, Ciudad Universitaria, Coyoacan, 04510 México DF, Mexico.
authors.forename: Roberto
authors.initials: R
authors.lastname: Escudero
keywords: Ising one-dimensional system; crystal structure; manganese carboxylate cluster; one-dimensional polymer; qubit-based computation materials; single-chain magnets; single-molecule magnet