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Confinement Effects on the Nuclear Spin Isomer Conversion of H2O.

Pierre-Alexandre TurgeonJonathan VermetteGil AlexandrowiczYoann PeperstraeteLaurent PhilippeMathieu BertinJean-Hugues FillionXavier MichautPatrick Ayotte
Published in: The journal of physical chemistry. A (2017)
The mechanism for interconversion between the nuclear spin isomers (NSI) of H2O remains shrouded in uncertainties. The temperature dependence displayed by NSI interconversion rates for H2O isolated in an argon matrix provides evidence that confinement effects are responsible for the dramatic increase in their kinetics with respect to the gas phase, providing new pathways for o-H2O↔p-H2O conversion in endohedral compounds. This reveals intramolecular aspects of the interconversion mechanism which may improve methodologies for the separation and storage of NSI en route to applications ranging from magnetic resonance spectroscopy and imaging to interpretations of spin temperatures in the interstellar medium.
Keyphrases
  • room temperature
  • density functional theory
  • single molecule
  • transition metal
  • high resolution
  • molecular dynamics
  • liquid chromatography
  • mass spectrometry
  • photodynamic therapy
  • quantum dots