English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Phenyl ring flips in crystals of bis-(4-chlorophenyl)-sulphone and a binary criterion for distinguishing chemical exchange from spin diffusion in deuteron exchange nuclear magnetic resonance

Speier, P., Müller, A., Meinel, C., & Haeberlen, U. (1998). Phenyl ring flips in crystals of bis-(4-chlorophenyl)-sulphone and a binary criterion for distinguishing chemical exchange from spin diffusion in deuteron exchange nuclear magnetic resonance. Molecular Physics, 95(5), 859-870. doi:10.1080/002689798166486.

Item is

Basic

show hide
Genre: Journal Article
Alternative Title : Phenyl ring flips in crystals of bis-(4-chlorophenyl)-sulphone and a binary criterion for distinguishing chemical exchange from spin diffusion in deuteron exchange nuclear magnetic resonance

Files

show Files
hide Files
:
MolPhys_95_1998_859.pdf (Any fulltext), 530KB
 
File Permalink:
-
Name:
MolPhys_95_1998_859.pdf
Description:
-
Visibility:
Restricted (Max Planck Institute for Medical Research, MHMF; )
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show
hide
Description:
-
Description:
-

Creators

show
hide
 Creators:
Speier, P.1, Author              
Müller, Andreas1, Author              
Meinel, Christoph1, Author              
Haeberlen, Ulrich1, Author              
Affiliations:
1Research Group Prof. Dr. Haeberlen, Max Planck Institute for Medical Research, Max Planck Society, ou_1497739              

Content

show
hide
Free keywords: -
 Abstract: We demonstrate by selective saturation deuteron NMR experiments on a deuterated crystal of bis-(4-chlorophenyl)-sulphone (BCPS, the `butterfly molecule’) that, in the crystalline state, the two phenyl rings of this molecule are flipping through 180° . This process is thermally activated, the kinetic parameters are ΔE = (71+-5) kJmol- 1 and k0 = 1015.56+-0.8 s- 1. Our spectra also indicate a slow magnetization transfer, on a time scale of 50 s at room temperature, between deuterons located on different wings of the molecule. Flips of the molecule as a whole about a crystal and molecular twofold axis would account for this magnetization transfer. An alternative explanation is spin diffusion. To discriminate between these two possibilities we develop and apply a new criterion. It exploits the fact that the sign of quadrupolar order transferred between two I = 1 spin ensembles with quadrupole splittings of opposite sign depends on whether the quadrupolar order transfer occurs via chemical exchange or via spin diffusion. This criterion thus allows one, in a single experiment, to discriminate between chemical exchange and spin diffusion in a yes/no fashion. We therefore call it binary quadrupolar order criterion. Its application to BCPS yields the result that the observed slow magnetization transfer is due to spin diffusion and that the BCPS molecules are not flipping as a whole on a time scale of 50 s at room temperature.

Details

show
hide
Language(s): eng - English
 Dates: 1998-01-161998-03-201998
 Publication Status: Published in print
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Molecular Physics
  Other : Mol. Phys.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: London : Taylor & Francis
Pages: - Volume / Issue: 95 (5) Sequence Number: - Start / End Page: 859 - 870 Identifier: ISSN: 0026-8976
CoNE: https://pure.mpg.de/cone/journals/resource/954925264211