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Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine.

Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Research Abstract Details 

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  • Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Abstract Text:

    kazuhiko yamadaKazuhiko Yamada,tadashi shimizuTadashi Shimizu,miwako asanumaMiwako Asanuma,toshio yamazakiToshio Yamazaki,shigeyuki yokoyamaShigeyuki Yokoyama,

    We have presented a solid-state (17)O NMR study of [(13)C, (17)O]-l-alanine. Using the experimental results for the (13)C-(17)O dipolar vector and Euler angles, the absolute orientations of (17)O 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, V(YY), lie in the carboxylate plane and parallel to the C-O bond directions, while the least shielded components, delta(11), and the intermediate CS tensor components, delta(22), roughly lie in the molecular plane and the direction of delta(22) components are approximately 38 degrees and 25 degrees 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.

    Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Publishing Authors By Initials

    k yamadaK Yamada,t shimizuT Shimizu,m asanumaM Asanuma,t yamazakiT Yamazaki,s yokoyamaS Yokoyama,

    For similar abstracts research abstracts see: abstracts research

    PUBMED ID PMID:

    MEDLINE DATE: 2008 Jan-Feb

    Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Journal Published:

    PUBLICATION TYPE: Journal Article

    Journal: Solid state nuclear magnetic resonance

    VOLUME: 33

    Page Numbers: 25-30

    Journal Abbreviation:

    ISSN: 0926-2040

    DAY: 30

    MONTH: 10

    YEAR: 2007

    Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Information

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    LANGUAGE: eng

    NlmUniqueID: 9306181

    Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine. Keywords Mesh Terms:

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    Grant and Affiliation Information for Experimental determination of orientations for the (17)O electric-field-gradient and chemical shielding tensors in l-alanine.

    AFFILIATION: Tsukuba Magnet Laboratory, National Institute for Materials Science, 3-13 Sakura, Tsukuba 305-0003, Japan; Protein Research Group, Genomic Sciences Center, Yokohama Institute, RIKEN, 1-7-22 Suehiro, Tsurumi, Yokohama 230-0045, Japan.

    Country: Netherlands

    Netherlands Research PublicationNetherlands Research Publication

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    MEDLINETA: Solid State Nucl Magn Reson

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