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  The EFG tensors and the positions of the deuterons in deuterated pyromellitic acid dihydrate

Schajor, W., Tegenfeldt, J., & Haeberlen, U. (1981). The EFG tensors and the positions of the deuterons in deuterated pyromellitic acid dihydrate. Journal of Magnetic Resonance, 44(2), 285-293. doi:10.1016/0022-2364(81)90171-2.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0004-F724-D Version Permalink: https://hdl.handle.net/21.11116/0000-0004-F725-C
Genre: Journal Article

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JMagnReson_44_1981_285.pdf (Any fulltext), 589KB
 
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 Creators:
Schajor, Wilfried1, Author           
Tegenfeldt, J.1, Author           
Haeberlen, Ulrich2, Author           
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1Max Planck Institute for Medical Research, Max Planck Society, ou_1125545              
2Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              

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 Abstract: We report on high-field FT NMR measurements of the EFG tensors at the sites of the deuterons in selectively deuterated single crystals of pyromellitic acid dihydrate, PMADH. The principal directions of the EFGs and the quadrupole coupling constants are used to derive information about the positions of the deuterons relative to the framework of the heavy atoms of the PMA molecule, and about the hydrogen bond network in PMADH. The results are compared with the hydrogen positions found in Takusagawa's X-ray study of PMADH. The D NMR and the X-ray results are at variance. It is concluded that at least in this case of PMADH D NMR is superior to X-ray diffraction with regard to the positioning of the hydrogens.

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Language(s): eng - English
 Dates: 1981-02-232004-06-301981-08
 Publication Status: Published in print
 Pages: 9
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/0022-2364(81)90171-2
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Title: Journal of Magnetic Resonance
Source Genre: Journal
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Publ. Info: San Diego [etc.] : Academic Press
Pages: - Volume / Issue: 44 (2) Sequence Number: - Start / End Page: 285 - 293 Identifier: ISSN: 0022-2364
CoNE: https://pure.mpg.de/cone/journals/resource/954922651175_1