Chemical shift powder spectra enhanced by multiple-contact cross-polarization under slow magic-angle spinning

J Magn Reson. 2013 Feb:227:93-102. doi: 10.1016/j.jmr.2012.12.006. Epub 2012 Dec 20.

Abstract

A simple multiple-contact cross-polarization (CP) scheme is applied to a powder sample of ferrocene and β-calcium formate under static and magic-angle spinning (MAS) conditions. The method is described analytically through the density matrix formalism. We show that multiple equilibrations-re-equilibrations with the proton spin bath improves the polarization transfer efficiency at short contact times and provides higher signal enhancements than state-of-the art techniques such as adiabatic passage through the Hartmann-Hahn condition CP (APHH-CP) when MAS is applied. The resulting chemical shift powder spectra then are identical to the ones obtained by using ROtor-Directed Exchange of Orientations CP (APHH-RODEO-CP) with intensity gains of a factor 1.1-1.3.

MeSH terms

  • Algorithms*
  • Ferrous Compounds / chemistry*
  • Formates / chemistry*
  • Magnetic Resonance Spectroscopy / methods*
  • Metallocenes
  • Powders / chemistry*
  • Spin Labels

Substances

  • Ferrous Compounds
  • Formates
  • Metallocenes
  • Powders
  • Spin Labels
  • formic acid
  • ferrocene