title: A Mn(iii) single ion magnet with tridentate Schiff-base ligands.
abstract: Single ion magnet behaviour is reported for a mononuclear Mn(iii) ion with tridentate Schiff-base ligands which exhibits a tetragonal Jahn-Teller elongation along the Namine-Mn-Namine axis and crystallises with two crystallographically distinct Mn(iii) cations (unit A and unit B). While magnetic measurements show a large and negative axial zero-field splitting (D = -4.73 cm(-1)), HF-EPR reveal two distinct large axial Ds (D = -4.60 cm(-1) for unit A and D = -4.18 cm(-1) for unit B), thus resulting in the largest D known to date for a Mn(iii) single ion magnet. AC magnetic measurements at 2000 Oe allowed determination of the energy barrier for spin reversal (10.19 K) and spin reversal relaxation time (1.476 × 10(-6) s) for the Mn(iii) ion. Computational studies were used to characterise the electronic structure and substantiate the zero field splitting in the Mn(iii) complex.
authors.affiliation: Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
authors.forename: S
authors.initials: S
authors.lastname: Realista
authors.affiliation: School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland.
authors.forename: A J
authors.initials: AJ
authors.lastname: Fitzpatrick
authors.affiliation: Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
authors.forename: G
authors.initials: G
authors.lastname: Santos
authors.affiliation: BioISI, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal and Department of Physics, University of Coimbra, 3004-516 Coimbra, Portugal.
authors.forename: L P
authors.initials: LP
authors.lastname: Ferreira
authors.affiliation: Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal.
authors.forename: S
authors.initials: S
authors.lastname: Barroso
authors.affiliation: C2TN, Centro de Ciências e Tecnologias Nucleares, Instituto Superior Técnico, Universidade de Lisboa, Estrada Nacional 10, ao Km 139, 7, 2695-066 Bobadela LRS, Portugal.
authors.forename: L C J
authors.initials: LC
authors.lastname: Pereira
authors.affiliation: Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt and Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa, Portugal and Institute of Chemical Research of Catalonia (ICIQ), Avda. Països Catalans, 16-43007 Tarragona, Spain.
authors.forename: N A G
authors.initials: NA
authors.lastname: Bandeira
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
authors.forename: P
authors.initials: P
authors.lastname: Neugebauer
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
authors.forename: J
authors.initials: J
authors.lastname: Hrubý
authors.affiliation: School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland.
authors.forename: G G
authors.initials: GG
authors.lastname: Morgan
authors.affiliation: Institut für Physikalische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany.
authors.forename: J
authors.initials: J
authors.lastname: van Slageren
authors.affiliation: Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
authors.forename: M J
authors.initials: MJ
authors.lastname: Calhorda
authors.affiliation: Centro de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016 Lisboa, Portugal. pnmartinho@ciencias.ulisboa.pt.
authors.forename: P N
authors.initials: PN
authors.lastname: Martinho