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
03 صفر 1443
Accepted
17 ربيع الثاني 1443
First published
17 ربيع الثاني 1443

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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