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Related Experiment Videos

Collision-induced conformational changes in glycine.

Thomas F Miller1, David C Clary, Anthony J H M Meijer

  • 1Department of Physical and Theoretical Chemistry, Oxford University, UK.

The Journal of Chemical Physics
|July 23, 2005
PubMed
Summary
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Quantum calculations reveal that glycine conformer interconversion is influenced by collision energy and interactions. Conformer IV

Area of Science:

  • Physical Chemistry
  • Quantum Dynamics
  • Spectroscopy

Background:

  • Glycine exists in multiple conformers, with experimental detection of conformer IV remaining elusive.
  • Previous studies attributed the absence of conformer IV to rapid interconversion to more stable forms.

Purpose of the Study:

  • To investigate the quantum dynamics of glycine conformer interconversion in collisions with rare-gas atoms.
  • To elucidate the factors governing the transition probabilities between glycine conformers.
  • To provide insights into the experimental detection of glycine conformer IV.

Main Methods:

  • Quantum dynamical calculations were performed for glycine collisions with He, Ne, and Ar.
  • Analysis of interconversion probabilities as a function of collision energy, angle, and interaction strength.

Related Experiment Videos

  • Anharmonic vibrational frequency calculations were conducted.

    • Main Results:

    • Conformer interconversion probability depends on collision energy, approach angle, and glycine-atom interaction strength.
    • Attractive interactions catalyze interconversion at low collision energies.
    • Calculations suggest IV-->I interconversion is not significantly faster than III-->I.

    Conclusions:

    • The elusiveness of glycine conformer IV is not solely due to rapid IV-->I interconversion.
    • Conformer IV should be detectable in helium droplets.
    • Overlapping IR-absorption bands may have hindered previous detection efforts; a specific redshifted vibrational mode is proposed for identification.