کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5420779 | 1507515 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Experimental determination of orientations for the 17O electric-field-gradient and chemical shielding tensors in l-alanine
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Nuclear Magnetic Resonance - Volume 33, Issues 1â2, JanuaryâFebruary 2008, Pages 25-30
Journal: Solid State Nuclear Magnetic Resonance - Volume 33, Issues 1â2, JanuaryâFebruary 2008, Pages 25-30
نویسندگان
Kazuhiko Yamada, Tadashi Shimizu, Miwako Asanuma, Toshio Yamazaki, Shigeyuki Yokoyama,