Direct Spectroscopic Evidence of the Mechanism behind the Phase Transition of [2,2]-Paracyclophane

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DOI

  • Hilke Wolf, Univ Gottingen, University of Gottingen, Inst Anorgan Chem
  • ,
  • Nina Lock
  • Stewart F. Parker, STFC Rutherford Appleton Lab, STFC Rutherford Appleton Laboratory, ISIS Facil
  • ,
  • Dietmar Stalke, Univ Gottingen, University of Gottingen, Inst Anorgan Chem

[2,2]-Paracyclophane undergoes phase transitions at 45 and 60K. Based on simultaneous Raman spectroscopy and inelastic neutron scattering experiments (12-70K), it was shown that a twisting motion of the ethylene bridge perpendicular to the plane of the aromatic rings drives the phase transition. The low-temperature (60K) conformers only differ by this twisting motion, which freezes out below 45K and is thermally averaged above 60K. Between 45 and 60K, the system gains energy until the phase transition is complete.

Original languageEnglish
JournalChemistry: A European Journal
Volume21
Issue12
Pages (from-to)4556-4560
Number of pages5
ISSN0947-6539
DOIs
Publication statusPublished - 16 Mar 2015

    Research areas

  • inelastic neutron scattering, non-destructive phase transition, paracyclophane, Raman spectroscopy, structure determination, NORMAL HARMONIC VIBRATIONS, MOLECULAR DISTORTIONS, ELECTRONIC-SPECTRUM, CYCLOPHANES, <2.2>PARACYCLOPHANE, CHEMISTRY, CRYSTAL

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