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  Isotopic orientational order in acetyl salicylic acid

Schiebel, P., Prandl, W., Papoular, R., Paulus, W., Detken, A., Haeberlen, U., et al. (2000). Isotopic orientational order in acetyl salicylic acid. Physica B-Condensed Matter, 276, 816-817. doi:10.1016/S0921-4526(99)01337-X.

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PhysicaB_276_2000_816.pdf (Any fulltext), 126KB
 
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 Creators:
Schiebel, P., Author
Prandl, W., Author
Papoular, R., Author
Paulus, W., Author
Detken, Andreas1, Author           
Haeberlen, Ulrich2, Author           
Zimmermann, Herbert3, Author           
Affiliations:
1Emeritus Group Bioorganic Chemistry, Max Planck Institute for Medical Research, Max Planck Society, ou_1497711              
2Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              
3Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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Free keywords: Maximum-entropy analysis; Order–disorder transition; Single-crystal neutron diffraction
 Abstract: Isotopically mixed methyl groups CDxH3−x with zero averaged deuteron/hydrogen scattering length 0=〈a〉=xaD+(3−x)aH are expected to be invisible in a neutron diffraction experiment. We find, indeed, in the scattering length density of aspirin-CDxH3−x, reconstructed by maximum-entropy methods, at room temperature only three very week minima. At 10 K, however, one positive and two negative extrema are visible: unique evidence for orientational isotopic order. From a combination of 1-d-Fourier and algebraic methods we deconvolute 〈a〉 and derive the orientational distribution function f(φ) which has three equivalent maxima/minima at 300 K and loses this 3φ periodicity at 10 K. f(φ) is the basis for the determination of the hindrance potential with cos(φ) as the leading term.

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Language(s): eng - English
 Dates: 2000-05-022000-03
 Publication Status: Published in print
 Pages: 2
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1016/S0921-4526(99)01337-X
 Degree: -

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Title: Physica B-Condensed Matter
  Other : Physica B
Source Genre: Journal
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Publ. Info: Amsterdam : North-Holland
Pages: - Volume / Issue: 276 Sequence Number: - Start / End Page: 816 - 817 Identifier: ISSN: 0921-4526
CoNE: https://pure.mpg.de/cone/journals/resource/954928575733