Rotational Spectra of Chemical Warfare Agents and Simulants using Fourier-Transform Microwave Spectroscopy

Abstract

Using Fourier-transform microwave spectroscopy, the rotational spectra of diethyl methylphosphonate, diethyl ethylphosphonate, and diisopropyl methylphosphonate have been acquired. Rotational constants have been derived, and high level ab initio calculations have been carried out in order to determine the nature of the conformers that were identified using the spectral information. Continued efforts in development of FTMW spectroscopy as a quantitative tool for gas-phase chemical agent analysis is also discussed.

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Document Details

Document Type
Technical Report
Publication Date
Jul 01, 2003
Accession Number
ADA483108

Entities

People

  • Alan C. Samuels
  • James O. Jensen
  • R. D. Suenram
  • Ryan S. Dabell

Tags

Communities of Interest

  • C4I
  • Counter WMD
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Abstracts
  • Chemical Agent Simulants
  • Chemical Warfare
  • Chemical Warfare Agents
  • Chemical Weapons
  • First Principles Calculations
  • Frequency
  • Microwave Spectroscopy
  • Microwaves
  • Molecular Beams
  • Molecules
  • Organophosphorus Compounds
  • Precursors
  • Radiation
  • Spectra
  • Spectral Lines
  • Spectroscopy

Fields of Study

  • Chemistry

Readers

  • Analytical Chemistry
  • Quantum Chemistry
  • Spectroscopy.