Communication

Nuclear Spin Conversion to Probe the Methyl Rotation Effect on Hydrogen-Bond and Vibrational Dynamics†

  1. Rolando R. Lozada-Garcia1,2,
  2. Dr. Justinas Ceponkus1,3,
  3. Dr. Michèle Chevalier1,
  4. Dr. Wutharath Chin1,
  5. Dr. Jean-Michel Mestdagh4,
  6. Dr. Claudine Crépin1,*

Article first published online: 6 JUN 2012

DOI: 10.1002/anie.201200727

Issue

Angewandte Chemie International Edition

Angewandte Chemie International Edition

Volume 51, Issue 28, pages 6947–6950, July 9, 2012

Additional Information

How to Cite

Lozada-Garcia, R. R., Ceponkus, J., Chevalier, M., Chin, W., Mestdagh, J.-M. and Crépin, C. (2012), Nuclear Spin Conversion to Probe the Methyl Rotation Effect on Hydrogen-Bond and Vibrational Dynamics . Angew. Chem. Int. Ed., 51: 6947–6950. doi: 10.1002/anie.201200727

Author Information

  1. 1

    Institut des Sciences Moléculaires d'Orsay, UMR 8214, Université Paris-Sud, CNRS, 91405 Orsay (France)

  2. 2

    Departamento de Matemática y Computación, Instituto Superior de Tecnologías y Ciencias Aplicadas, La Habana (Cuba)

  3. 3

    Dept. of General Physics and Spectroscopy, Vilnius University, Vilnius (Lithuania)

  4. 4

    Laboratoire Francis Perrin CEA-CNRS, URA 2453, CEA, IRAMIS, Service des Photons Atomes et Molécules, 91191 Gif-sur-Yvette (France)

*Institut des Sciences Moléculaires d'Orsay, UMR 8214, Université Paris-Sud, CNRS, 91405 Orsay (France)

  1. †

    This work was supported by the French Science Agencies (ANR-06-BLAN-0314 GOUTTELIUM; Triangle de la Physique 2010-004-T NOSTADYNE) and by the French-Lithuanian project PHC GILIBERT N°25405YJ. R.L.-G. acknowledges PhD supports from the French embassy in Cuba, the University Paris-Sud, and MAE/EGIDE (Eiffel grant).

Publication History

  1. Issue published online: 4 JUL 2012
  2. Article first published online: 6 JUN 2012
  3. Manuscript Revised: 10 APR 2012
  4. Manuscript Received: 26 JAN 2012

Funded by

  • French Science Agencies. Grant Number: ANR-06-BLAN-0314
  • French-Lithuanian project PHC GILIBERT. Grant Number: 25405YJ

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Keywords:

  • hydrogen bonds;
  • IR spectroscopy;
  • matrix isolation;
  • molecular dynamics;
  • proton tunneling
Thumbnail image of graphical abstract

A noteworthy example of a molecule with coupled large-amplitude motions is provided by acetylacetone (methyl group torsions and intramolecular hydrogen bonds). The molecule was trapped in solid parahydrogen to investigate the complex proton tunneling processes. Nuclear spin conversion in methyl groups is observed and, combined with IR spectra, documents the coupling between high frequency modes and large amplitude motions.

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