Researcher:
Schnering, H. G. Von

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H. G. Von

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Schnering

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Schnering, H. G. Von

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20141

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Researcher Of Publications: search.filters.isAuthorOfPublication.48c0e30d-130e-4666-9da7-ae688c03fa17

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    A profound analysis of Rb-2[PH] and Cs-2[PH] and the role of [PH](2-) ions during temperature-induced solid-solid phase transitions
    (Elsevier, 2014) Hochrein, Oliver; Zahn, Dirk; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Schnering, H. G. Von; Faculty Member; Other; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    The temperature-induced solid-solid transformation of Rb-2[PH] and Cs-2[PH] is characterized from both experiment and theory. Neutron diffraction, IR-spectroscopy and ab-initio molecular dynamics simulations reveal an asymmetric shift of the lattice constants at 80 K. The molecular mechanism of the structural transformation as identified from IR-spectroscopy and ab-initio molecular dynamics simulations is closely connected to the orientation of the [PH](2-) moieties which undergo a partial order-disorder phase transition.