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• W2017355215 abstract "We report on quasielastic neutron spectroscopy experiments on ferrocene (bis(η5-cyclopentadienyl)iron) in its three different crystalline phases: the disordered monoclinic crystalline phase (T &gt; 164 K), the metastable triclinic phase (T &lt; 164 K), and the stable orthorhombic phase (T &lt; 250 K). The cyclopentadienyl rings in ferrocene are known to undergo rotational reorientations for which the analysis of our large data set suggests partially a revision of the known picture of the dynamics and allows for an extension and completion of previous studies. In the monoclinic phase, guided by structural information, we propose a model for rotational jumps among non-equivalent sites in contrast to the established 5-fold jump rotation model. The new model takes the dynamical disorder into account and allows the cyclopentadienyl rings to reside in two different configurations which are found to be twisted by an angle of approximately 30°. In the triclinic phase, our analysis demands the use of a 2-ring model accounting for crystallographically independent sites with different barriers to rotation. For the orthorhombic phase of ferrocene, we confirm a significantly increased barrier of rotation using neutron backscattering spectroscopy. Our data analysis includes multiple scattering corrections and presents a novel approach of simultaneous analysis of different neutron scattering data by combining elastic and inelastic fixed window temperature scans with energy spectra, providing a very robust and reliable mean of extracting the individual activation energies of overlapping processes." @default.
• W2017355215 created "2016-06-24" @default.
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• W2017355215 date "2015-03-20" @default.
• W2017355215 modified "2023-10-01" @default.
• W2017355215 title "Molecular ring rotation in solid ferrocene revisited" @default.
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• W2017355215 doi "https://doi.org/10.1063/1.4915067" @default.
• W2017355215 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25796257" @default.
• W2017355215 hasPublicationYear "2015" @default.
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