Computational Analyses of Structural Properties of the Dinitramide Ion, N(NO2)2(-), and Some Related Molecules: HN(NO2)2 and N(NO2)3

Abstract

We have carried out ab initio SCF calculations of the structures of the dinitramide anion, N(NO2)2(-), and some related molecules: HN(NO2)2 and N(NO2)3. We have analyzed factors affecting their stabilities, and computed the proton affinity of N(NO2)2(-) as a measure of the acidity of HN(NO2)2 and the interaction energy of N(NO2)2(-) with NO2(+) to yield N(NO2)3. The proton affinity of N(NO2)2(-) was found to be considerably greater than that of NO2(-). (kr)

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Document Details

Document Type
Technical Report
Publication Date
Sep 01, 1990
Accession Number
ADA228139

Entities

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  • Paul C. Redfern
  • Peter Politzer

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  • University of New Orleans

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  • Air Platforms

DTIC Thesaurus Topics

  • Acquisition
  • Chemical Compounds
  • Chemistry
  • Classification
  • Dihedral Angle
  • Electrons
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  • Geometry
  • Ground State
  • Military Research
  • Molecules
  • Nitrogen
  • Planar Structures
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  • Solid Rocket Oxidizers
  • Structural Properties

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