Article ID Journal Published Year Pages File Type
5420779 Solid State Nuclear Magnetic Resonance 2008 6 Pages PDF
Abstract
We have presented a solid-state 17O NMR study of [13C, 17O]-l-alanine. Using the experimental results for the 13C-17O dipolar vector and Euler angles, the absolute orientations of 17O chemical shielding (CS) and electric-field-gradient (EFG) tensors with respect to the molecular frame can be determined for l-alanine. The present results suggest that the intermediate EFG tensor components, VYY, lie in the carboxylate plane and parallel to the C-O bond directions, while the least shielded components, δ11, and the intermediate CS tensor components, δ22, roughly lie in the molecular plane and the direction of δ22 components are approximately 38° and 25° off the C-O bonds for O1 and O2, respectively. These results are in reasonable agreement with those of our quantum chemical calculations reported previously.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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