Abstract
Liquid crystal NMR (LX-NMR) spectra of seven different small amides (formamide, acetamide, cis- and trans-N-methylformamide, trans-N-methylacetamide, N,N-dimethylformamide, and N,N-dimethylacetamide) are obtained in the lyotropic liquid crystalline solvent cesium pentadecafluorooctanoate in water (CsPFO/water). Fits of the spectra to a model Hamiltonian yield magnetic dipolar couplings Dij (where i and j label two nuclear spins). The Dij are directly related to amide geometry and the details of the orientational distribution of the amide while it visits the bicelle−water interface. Using calculated gas-phase geometries, we extract the orientation tensor S for each amide to within a factor of ±1. As estimated by the rms magnitude of the eigenvalues of S, the amides vary by a factor of 30 in orientational strength in the following order: trans-N-methylacetamide (Srms = 0.0031); formamide (0.0038); acetamide (0.010); cis-N-methylformamide (0.011); trans-N-methylformamide (0.066); N,N-dimethylformamide (0.10...
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