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Extracting intramolecular dynamics informations from conventional and remote protons CP/MAS NMR build-up curves

M. ALUAS1,* , C. TRIPON2, X. FILIP2, C. FILIP2

Affiliation

  1. Physics Department, Babes-Bolyai University, 400084 Cluj-Napoca, Romania
  2. Institute for R&D of Isotopic and Molecular Technologies, P.O. Box 700, 400293 Cluj-Napoca, Romania

Abstract

An 13C Solid-State Nuclear Magnetic Resonance Spectroscopy (SS-NMR) procedure for extracting structural and dynamical information in organic molecules is introduced. The method combines numerical simulations with two kinds of NMR experiments namely conventional CP-MAS (cross-polarisation magic angle spinning) and remote protons CP-MAS. The former is mostly sensitive to dipolar couplings between directly bonded 13C-1H nuclei, whereas the latter prepares a state of non-uniform polarization, where these particular spin pairs are de-polarized prior to recording the CP buildup curve. This curve is then expected to quantify the polarization transfer from remote protons only. The method is demonstrated for the specific NH3 group of L-alanine and it shows that the remote protons polarization transfer curve can be used in combination with the conventional CP/MAS curve to get additional structural and dynamical information in molecular systems with relevance for biology and advanced materials..

Keywords

Solid-State NMR Spectroscopy, Dynamics, CP/MAS, Aminoacids.

Submitted at: Nov. 15, 2006
Accepted at: March 15, 2007

Citation

M. ALUAS, C. TRIPON, X. FILIP, C. FILIP, Extracting intramolecular dynamics informations from conventional and remote protons CP/MAS NMR build-up curves, Journal of Optoelectronics and Advanced Materials Vol. 9, Iss. 3, pp. 664-667 (2007)