de.mpg.escidoc.pubman.appbase.FacesBean
English
 
Help Guide Disclaimer Contact us Login
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Isotope induced proton ordering in partially deuterated acetylsalicylic acid

MPS-Authors
http://pubman.mpdl.mpg.de/cone/persons/resource/persons128263

Zimmermann,  Herbert
Department of Molecular Physics, Max Planck Institute for Medical Research, Max Planck Society;
Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons92644

Detken,  Andreas
Emeritus Group Bioorganic Chemistry, Max Planck Institute for Medical Research, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons93258

Haeberlen,  Ulrich
Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society;

Fulltext (public)
There are no public fulltexts available
Supplementary Material (public)
There is no public supplementary material available
Citation

Schiebel, P., Papoular, R., Paulus, W., Zimmermann, H., Detken, A., Haeberlen, U., et al. (1999). Isotope induced proton ordering in partially deuterated acetylsalicylic acid. Physical Review Letters, 83(5), 975-978. doi:10.1103/PhysRevLett.83.975.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-ABD4-A
Abstract
We report the nuclear density distribution of partially deuterated aspirin, C8H5O4-CH2D, at 300 and 15 K, as determined by neutron diffraction coupled with maximum entropy method image reconstruction. While fully protonated and fully deuterated methyl groups in aspirin are delocalized at low temperatures due to quantum mechanical tunneling, we provide here direct evidence that in aspirin-CH2D at 15 K the methyl hydrogens are localized, while randomly distributed over three sites at 300 K. This is the first observation by diffraction methods of low-temperature isotopic ordering in condensed matter