Issue 12, 2016

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).

Graphical abstract: A combined quantum-chemical and matrix-isolation study on molecular manganese fluorides

  • This article is part of the themed collection: Fluorine

Supplementary files

Article information

Article type
Paper
Submitted
10 dec 2015
Accepted
18 jan 2016
First published
19 jan 2016
This article is Open Access
Creative Commons BY license

Dalton Trans., 2016,45, 5038-5044

A combined quantum-chemical and matrix-isolation study on molecular manganese fluorides

F. Brosi, T. Schlöder, A. Schmidt, H. Beckers and S. Riedel, Dalton Trans., 2016, 45, 5038 DOI: 10.1039/C5DT04827C

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