title: Challenges in assignment of orbital populations in a high spin manganese(III) complex.
abstract: Magnetic, structural and computational data of four complex salts with the same mononuclear high spin octahedral Mn(iii) complex cation are reported. The manifestation of Jahn-Teller-like distortions in the Mn(iii) cation is dependent on the nature of the charge-balancing anion, with small anions yielding a planar elongation and large anions freezing out a preferential axial elongation along one of the amine-Mn-imine directions within that same plane. Modulation of the lattice by changing the charge balancing anion results in mixing of the orbital symmetry due to vibrational perturbation.
authors.affiliation: School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland. grace.morgan@ucd.ie.
authors.forename: A J
authors.initials: AJ
authors.lastname: Fitzpatrick
authors.affiliation: Faculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Beograd, Republic of Serbia.
authors.forename: S
authors.initials: S
authors.lastname: Stepanovic
authors.affiliation: School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland. grace.morgan@ucd.ie.
authors.forename: H
authors.initials: H
authors.lastname: Müller-Bunz
authors.affiliation: Faculty of Chemistry, University of Belgrade, Studentski trg 12-16, 11000 Beograd, Republic of Serbia.
authors.forename: M A
authors.initials: MA
authors.lastname: Gruden-Pavlović
authors.affiliation: Departamento de Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, 39005 Santander, Spain.
authors.forename: P
authors.initials: P
authors.lastname: García-Fernández
authors.affiliation: School of Chemistry, University College Dublin, Belfield, Dublin 4, Ireland. grace.morgan@ucd.ie.
authors.forename: G G
authors.initials: GG
authors.lastname: Morgan