Journal
SOLID STATE NUCLEAR MAGNETIC RESONANCE
Volume 31, Issue 2, Pages 100-114Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.ssnmr.2007.02.004
Keywords
QCPMG; MAS; H-2; Li-6; N-14; solid-state; multiple-site jump; molecular dynamics
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By numerical simulations MAS and QCPMG methods for acquiring spectra of spin-1 nuclei were compared in order to determine the most sensitive experiment for analysis of molecular dynamics. To comply. with the large quadrupolar constants for N-14 and the CSA reported for Li-6 both of these interactions are included up to second order. For H-2 and 6Li both QCPMG and single-pulse MAS experiments were suitable for dynamics studies whereas the single-pulse MAS experiment were the method of choice for investigation of N-14 dynamics for C-Q's larger than 750 kHz at 14.1 T. This property prohibits excitation of the N-14 lineshape using either single hard or softer composite rf-pulses. Focusing on 14N it was demonstrated that the centerband lineshape is sensitive toward both off-MAS and CSA effects. In addition, excitation by real-time pulses showed that proper lineshapes corresponding to a site with a C-Q of 3 MHz may be excited by a very short pulse. (C) 2007 Elsevier Inc. All rights reserved.
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