Nuclear Magnetic Resonance Identification of Military Nerve Agents and Related Compounds by Two-Dimensional 31P-1H Heteronuclear Overhauser Effect Spectroscopy

Abstract

Triethylphosphate and two diastereoisomers of Opinacolyl methylphosphonic acid, the primary hydrolysis product of the nerve agent soman, were identified in an organic solvent with a single 31P-1H heteronuclear Overhauser effect spectroscopy (HOESY) spectrum correlating phosphorus nuclei to their J-coupled protons. An analogous heteronuclear multiple bond correlation experiment is also presented to demonstrate the superiority of HOESY for detecting long-range 3lP-1H pairs. This superiority results from two features specific to the HOESY technique, its reliance on the transfer of phase coherence through conformational space, and its direct detection of 31P nuclei.

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Document Details

Document Type
Technical Report
Publication Date
Jun 01, 2010
Accession Number
ADA524492

Entities

People

  • Terry J. Henderson

Organizations

  • Edgewood Chemical Biological Center

Tags

Communities of Interest

  • Biomedical

DTIC Thesaurus Topics

  • Acquisition
  • Chemical Shifts
  • Chemical Weapons
  • Covalent Bonds
  • Data Sets
  • Detection
  • Fourier Transformation
  • Magnetic Resonance
  • Nerve Agents
  • Nuclear Magnetic Resonance
  • Nuclei
  • Organophosphorus Compounds
  • Resonance
  • Spectra
  • Spectroscopy
  • Two Dimensional
  • Weapons

Fields of Study

  • Chemistry

Readers

  • Molecular Photonics/Laser Physics
  • Neurotoxicology
  • Quantum Chemistry

Technology Areas

  • Quantum Science - Quantum Dots
  • Space
  • Space - Space Objects