High-performance selective excitation pulses for solid- and liquid-state NMR spectroscopy

Chemphyschem. 2004 Jun 21;5(6):834-50. doi: 10.1002/cphc.200400018.

Abstract

Computer-optimized selective pulses are routinely used in solution-state NMR spectroscopy. At the same time, their utility and importance for solid-state applications has yet to be fully realized. We suggest a new computational approach that makes the design of soft selective pulses with desired properties relatively straightforward. By applying this technique to the generic selective excitation problem, we have arrived at a family of high performance selective excitation pulses, dubbed E-Family, that allows more flexibility and better performance than analogous pulses previously reported in the literature. The new pulses have been successfully tested in both solid- and solution-state NMR experiments. A theoretical treatment of the effects of chemical shift anisotropy (CSA) on the selective excitation in magic-angle spinning (MAS) experiments in solids is presented. The set of heuristics that comprise our new strategy were incorporated into a general NMR simulation program SPINEVOLUTION.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Anisotropy
  • Computer Simulation
  • Magnetic Resonance Spectroscopy / methods*
  • Models, Chemical
  • Quantum Theory
  • Spin Labels

Substances

  • Spin Labels