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Two phases of

Concolino1, Lam, Guzei

  • 1Department of Chemistry and Biochemistry, University of Delaware, Newark 19716, USA.

Acta Crystallographica. Section B, Structural Science
|May 4, 2000
PubMed
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This study reveals a reversible solid-state phase transition in a caesium phosphide compound. The material exhibits an order-disorder transition at low temperatures, doubling its unit-cell volume and affecting toluene ligand ordering.

Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Materials science

Background:

  • Investigates the solvent-bridged caesium phosphide [CsPH(eta6-2,4,6-(t)Bu3C6H2)]2(eta3-toluene)0.5x.
  • Previous structural features of form A were discussed by Rabe et al. (1998).

Purpose of the Study:

  • To characterize the reversible solid-state, order-disorder phase transition in the caesium phosphide compound.
  • To determine the structural changes associated with the phase transition.
  • To identify the temperature at which the order-disorder transition occurs.

Main Methods:

  • Single-crystal X-ray diffraction at 293 K (Form A) and 173 K (Form B).
  • Analysis of unit-cell parameters, volume, and molecular ordering.
  • Determination of crystallographic data including R-factors and unit-cell dimensions.

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Main Results:

  • A reversible solid-state order-disorder phase transition was observed.
  • The transition involves a doubling of the unit-cell volume at low temperatures.
  • The eta3-toluene ligand is disordered at 293 K and ordered at 173 K, with the transition occurring around 278 K.

Conclusions:

  • The caesium phosphide compound exhibits a distinct order-disorder phase transition.
  • The transition is characterized by significant changes in unit-cell dimensions and ligand ordering.
  • The structural integrity of the core phosphide framework remains largely consistent across phases.