Both single crystals of VCI3(THF) 3 as well as isotypic cocrystals of the composition MC13(THF)3, M = Ti/V ~ 1/3, undergo a topotactic reversible phase transition to a hitherto unknown lowtemperature modification. The close relationship between this new structure and the room-temperature phase determined by Cotton et al. is discussed from the molecular and the intermolecular point of view: Both modifications are built up by conformationally very similar molecules which change their arrangement during the phase transition. Lattice energy calculations confirm that these two alternative arrangements correspond to minima of almost the same packing energy.

Topotactic reversible phase transition between room temperature and a low-temperature modification in the MCl3(THF)3 system

CALDERAZZO, FAUSTO;PAMPALONI, GUIDO
1997

Abstract

Both single crystals of VCI3(THF) 3 as well as isotypic cocrystals of the composition MC13(THF)3, M = Ti/V ~ 1/3, undergo a topotactic reversible phase transition to a hitherto unknown lowtemperature modification. The close relationship between this new structure and the room-temperature phase determined by Cotton et al. is discussed from the molecular and the intermolecular point of view: Both modifications are built up by conformationally very similar molecules which change their arrangement during the phase transition. Lattice energy calculations confirm that these two alternative arrangements correspond to minima of almost the same packing energy.
Englert, U; Calderazzo, Fausto; Pampaloni, Guido
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/204821
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