Residual orientational disorder of deuterated nonadecane in hydrogenated urea nanotubes: single crystal 2H NMR

Abstract

Urea based intergrowth compounds are nanotubular inclusion compounds of growing interest. A model-independent method to extract the intrinsic orientational disorder of selectively deuterated guest molecules in hydrogenated urea is presented. It is based on single crystal deuterium 2H NMR spectra acquired at different orientations, and on an Inverse method implemented with non negative constraints and a Tikhonov regularization procedure. The orientational probability density of the guest nonadecane C–D bonds in the low temperature phase of nonadecane/urea at 90 K is reconstructed, and a reliable estimation of the intrinsic orientational disorder is given. To cite this article: C. Odin, C. R. Chimie 9 (2006).