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Issue 41, 2016
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Molecular ring rotation in poly(vinylferrocene)

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We investigate the ring rotation dynamics in poly(vinylferrocene) (PVFc) using incoherent neutron spectroscopy. PVFc contains ferrocene units laterally attached to a polymer backbone, allowing for one cyclopentadienyl ring of the organometallic sandwich structure of ferrocene to undergo rotational jump diffusion. The barrier of rotation is found to be broadly distributed, but the dynamics can be well described using a rotation rate distribution model which is well known from the description of methyl group rotation in glassy polymers. As necessary information for the analysis of quasielastic scattering data, we measure the static structure factor of the polymer using polarized neutron diffraction. Neutron time-of-flight and backscattering data are then combined and consistently modeled over the large temperature range from 80 K to 350 K yielding an Arrhenius behavior of the jump rate distribution. The mean value of potential barrier distribution is found to be 〈EA〉 = 9.61(2) kJ mol−1 with a root mean square width of σE = 3.12(1) kJ mol−1, being the result of superposition of constant intramolecular and heterogeneous intermolecular rotational barriers.

Graphical abstract: Molecular ring rotation in poly(vinylferrocene)

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Publication details

The article was received on 25 Jul 2016, accepted on 23 Sep 2016 and first published on 11 Oct 2016

Article type: Paper
DOI: 10.1039/C6CP05156A
Citation: Phys. Chem. Chem. Phys., 2016,18, 28973-28981

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    Molecular ring rotation in poly(vinylferrocene)

    M. Appel, B. Frick, J. Elbert, M. Gallei and B. Stühn, Phys. Chem. Chem. Phys., 2016, 18, 28973
    DOI: 10.1039/C6CP05156A

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