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Constant-adiabaticity radiofrequency pulses for generating long-lived singlet spin states in NMR.

Bogdan A RodinKirill F SheberstovAlexey S KiryutinJoseph T Hill-CousinsLynda J BrownRichard C D BrownBaptiste JamainHerbert ZimmermannRenad Z SagdeevAlexandra V YurkovskayaKonstantin L Ivanov
Published in: The Journal of chemical physics (2019)
A method is implemented to perform "fast" adiabatic variation of the spin Hamiltonian by imposing the constant adiabaticity condition. The method is applied to improve the performance of singlet-state Nuclear Magnetic Resonance (NMR) experiments, specifically, for efficient generation and readout of the singlet spin order in coupled spin pairs by applying adiabatically ramped RF-fields. Test experiments have been performed on a specially designed molecule having two strongly coupled 13C spins and on selectively isotopically labelled glycerol having two pairs of coupled protons. Optimized RF-ramps show improved performance in comparison, for example, to linear ramps. We expect that the methods described here are useful not only for singlet-state NMR experiments but also for other experiments in magnetic resonance, which utilize adiabatic variation of the spin Hamiltonian.
Keyphrases
  • magnetic resonance
  • room temperature
  • density functional theory
  • single molecule
  • transition metal
  • high resolution
  • contrast enhanced
  • magnetic resonance imaging
  • molecular dynamics
  • neural network