title: A combined quantum-chemical and matrix-isolation study on molecular manganese fluorides.
abstract: Molecular manganese fluorides were studied using quantum-chemical calculations at DFT and CCSD(T) levels and experimentally by matrix-isolation techniques. They were prepared by co-deposition of IR-laser ablated elemental manganese or manganese trifluoride with F2 in an excess of Ne, Ar, or N2 or with neat F2 at 5-12 K. New IR bands in the Mn-F stretching region are detected and assigned to matrix-isolated molecular MnFx (x = 1-3).
authors.affiliation: Institut für Chemie und Biochemie - Anorganische Chemie, Freie Universität Berlin, Fabeckstraße 34/36, D-14195 Berlin, Germany. s.riedel@fu-berlin.de.
authors.forename: Felix
authors.initials: F
authors.lastname: Brosi
authors.affiliation: Institut für Chemie und Biochemie - Anorganische Chemie, Freie Universität Berlin, Fabeckstraße 34/36, D-14195 Berlin, Germany. s.riedel@fu-berlin.de.
authors.forename: Tobias
authors.initials: T
authors.lastname: Schlöder
authors.affiliation: Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstraße 21, D-79104 Freiburg i. Br., Germany.
authors.forename: Alexei
authors.initials: A
authors.lastname: Schmidt
authors.affiliation: Institut für Chemie und Biochemie - Anorganische Chemie, Freie Universität Berlin, Fabeckstraße 34/36, D-14195 Berlin, Germany. s.riedel@fu-berlin.de.
authors.forename: Helmut
authors.initials: H
authors.lastname: Beckers
authors.affiliation: Institut für Chemie und Biochemie - Anorganische Chemie, Freie Universität Berlin, Fabeckstraße 34/36, D-14195 Berlin, Germany. s.riedel@fu-berlin.de and Institut für Anorganische und Analytische Chemie, Albert-Ludwigs-Universität Freiburg, Albertstraße 21, D-79104 Freiburg i. Br., Germany.
authors.forename: Sebastian
authors.initials: S
authors.lastname: Riedel