Methyl Torsional Levels of Solid Acetonitrile: A Neutron Scattering Study

Abstract

Neutron powder diffraction has been used to obtain the thermal parameters for the deuterium atoms and to confirm the crystal structure of acetonitrile-d3 at 4 K. Inelastic neutron scattering from both isotopic species is used to determine the energies of the first and second rotational levels of the methyl group. These four levels are reasonably reproduced by a three-fold potential with V3 = 125 meV. The activation energy derived from this potential is in agreement with that previously obtained from the temperature dependence of T1 in proton magnetic resonance measurements. Neutron scattering, Neutron beam scattering reactor.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1992
Accession Number
ADA258283

Entities

People

  • C. S. Choi
  • D. A. Neumann
  • S. F. Trevino

Organizations

  • United States Army Armament Research, Development and Engineering Center

Tags

Communities of Interest

  • Air Platforms
  • C4I
  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Acetonitrile
  • Crystal Structure
  • Crystals
  • Diffraction
  • Elements
  • Energy
  • Heat Of Activation
  • Inelastic Scattering
  • Magnetic Resonance
  • Materials
  • Materials Science
  • Measurement
  • Neutron Diffraction
  • Neutron Scattering
  • Nitriles
  • Resonance
  • Scattering

Fields of Study

  • Physics

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Solar Physics