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Related Experiment Videos

The low-temperature phase III structure and phase transition behaviour of cyclohexanone.

Richard M Ibberson1

  • 1ISIS Facility, CCLRC - Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, England. r.m.ibberson@rl.ac.uk

Acta Crystallographica. Section B, Structural Science
|July 15, 2006
PubMed
Summary

The crystal structure of perdeuterocyclohexanone (C(6)D(10)O) phase III was determined at 5 K. This monoclinic phase forms below 225 K, distinct from its plastic crystal phase.

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Area of Science:

  • Solid-state chemistry
  • Crystallography
  • Materials science

Background:

  • Cyclohexanone exhibits complex phase behavior upon cooling.
  • High-pressure phases and low-temperature transitions are not fully characterized.

Purpose of the Study:

  • Determine the crystal structure of phase III of perdeuterocyclohexanone at low temperature.
  • Investigate the phase transitions of cyclohexanone, including the role of pressure and isotopic substitution.

Main Methods:

  • High-resolution neutron powder diffraction at 5 K.
  • X-ray diffraction under high pressure (4.8 kbar).

Main Results:

  • The crystal structure of phase III (monoclinic, P2(1)/n) was solved at 5 K.

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  • Phase II (orthorhombic) structure details were reported at 4.8 kbar and ambient pressure.
  • The triple point for phase transitions is near atmospheric pressure.

    • Conclusions:

    • Perdeuterocyclohexanone undergoes a transition to a monoclinic phase III below 225 K.
    • Understanding the phase diagram is crucial for studying molecular behavior and isotope effects.