Fine Structures of 1H-Coupled 13C MAS NMR Spectra for Uniaxially Rotating Molecules in Deuterated Surroundings: Conformations of n-Alkane Molecules Enclathrated in Urea Channels

It is theoretically shown that spectral fine structures due to the intramolecular 1 H− 1 H dipolar couplings and the 13 C− 1 H J -couplings can be observed in uniaxially rotating molecules magnetically isolated from the surroundings when the 13 C spectrum is observed under magic-angle spinning without 1 H-decoupling. Such fine structures were observed for [2- 13 C]decane molecules enclathrated in deuterated urea channels.