Quantification of MQMAS spectra of solids containing quadrupolar nuclei

Abstract

This work presents a method that can yield quantitative multi- quantum magic-angle spinning (MQMAS) nuclear magnetic resonance (NMR) spectra by correcting experimental spectra with numerical simulations. The most important sources that cause non-quantitative MQMAS spectra are identified and can be calculated exactly. Therefore, the MQMAS spectra can be corrected with a number of intensity loss factors. Moreover, this method does not require intensive RF fields, extensive pulse optimization or high spinning speeds, etc. The effectiveness of this method is verified by treating the 23 Na MQMAS spectra of a series of sodium compounds to yield almost the X-ray site quantification.