• Media type: E-Article
  • Title: Multiple quantum coherence in HYSCORE spectra
  • Contributor: Liesum, Lorenz; Schweiger, Arthur
  • imprint: AIP Publishing, 2001
  • Published in: The Journal of Chemical Physics
  • Language: English
  • DOI: 10.1063/1.1368366
  • ISSN: 0021-9606; 1089-7690
  • Keywords: Physical and Theoretical Chemistry ; General Physics and Astronomy
  • Origination:
  • Footnote:
  • Description: <jats:p>The implementation of matched pulses in two-dimensional electron spin echo envelope modulation experiments results in a drastic increase in intensity of peaks representing nuclear multiple quantum coherence. For a spin system consisting of one electron spin S=12 and two nuclei with spin I=12 the nuclear coherence created by the sequence (π/2)−τ−(π/2) is calculated. The transfer amplitudes between different kinds of nuclear coherences of a microwave π pulse are given. A new matched HYSCORE pulse sequence, called SMART HYSCORE, is introduced with only one microwave pulse for the generation and detection of nuclear coherence, which does not suffer from blind spots. This sequence is applied to a single crystal and a disordered system, and it is demonstrated how the resolution of weakly coupled nuclei can be increased. Furthermore we show that information about the relative sign of hyperfine couplings and about the relative orientation of the hyperfine tensors can be derived from the ridge patterns in a HYSCORE experiment. The numerical simulations are confirmed experimentally.</jats:p>