X-ray scattering study of the phase transitions in crystalline fullerene-biphenyl C 60 [(C 6 H 5 ) 2 ]

Marucci, A.; Launois, Pascale; Moret, R.; Pénicaud, A.

doi:10.1140/epjb/e20020062

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“…The rapid modulations of the molecular form factor ͑large size of C 60 ͒ give rise to pronounced modulations of the halo. Similar results are obtained in the case of fullerene-biphenyl and of fullerene-tetraphenylphosphonium bromide compounds, 28,29 where different molecular orientations are also present. To try to explain the observed diffuse scattering in the lowtemperature phase of fullerene-cubane, we have calculated the diffuse scattering for 24 different orientations of the C 60 molecules.…”

Section: A Diffuse Scatteringsupporting

confidence: 83%

Lattice dynamics of a rotor-stator molecular crystal: Fullerene-cubaneC60⋅C8H8

et al. 2010

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The dynamics of fullerene-cubane ͑C 60 ·C 8 H 8 ͒ cocrystal is studied combining experimental ͓x-ray diffuse scattering, quasielastic and inelastic neutron scattering ͑INS͔͒ and simulation ͑molecular dynamics͒ investigations. Neutron scattering gives direct evidence of the free rotation of fullerenes and of the libration of cubanes in the high-temperature phase, validating the "rotor-stator" description of this molecular system. X-ray diffuse scattering shows that orientational disorder survives the order/disorder transition in the low-temperature phase, although the loss of fullerene isotropic rotational diffusion is featured by the appearance of a 2.2 meV mode in the INS spectra. The coupling between INS and simulations allows identifying a degeneracy lift of the cubane librations in the low temperature phase, which is used as a tool for probing the environment of cubane in this phase and for getting further insights into the phase transition mechanism.

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Section: A Diffuse Scatteringsupporting

confidence: 83%