Issue 3, 2022

Intramolecular rotations and electronic states of iron in the iron bis(dicarbollide) complex Fe[(C2B9H11)2] studied by a 57Fe nuclear probe and computational methods

Abstract

Mössbauer spectroscopy of iron(III) bis(dicarbollide) (1) and its adduct (2) revealed low spin FeIII in 1 and surprisingly FeII in 2. In 1, the (C2B9H11) groups rotate at room temperature with a frequency of 107 Hz, getting across the energy barrier of 24 meV. Numerical simulations showed a gradient of electric charge in 2, which may explain the FeII-like character in 2.

Graphical abstract: Intramolecular rotations and electronic states of iron in the iron bis(dicarbollide) complex Fe[(C2B9H11)2] studied by a 57Fe nuclear probe and computational methods

Supplementary files

Article information

Article type
Communication
Submitted
10 sept. 2021
Accepted
22 nov. 2021
First published
22 nov. 2021

Chem. Commun., 2022,58, 391-394

Intramolecular rotations and electronic states of iron in the iron bis(dicarbollide) complex Fe[(C2B9H11)2] studied by a 57Fe nuclear probe and computational methods

K. Bednarska-Szczepaniak, K. Dziedzic-Kocurek, E. Przelazły, J. Stanek and Z. J. Leśnikowski, Chem. Commun., 2022, 58, 391 DOI: 10.1039/D1CC05111C

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