Crystal Structure of Hexamethylguanidinium Hexafluorosilicate Hexahydrate

Abstract

Single crystals of the hexamethylguanidinium hexafluorosilicate hexahydrate salt, C(NMe2)32(+)SiF6(2-)(dot) 6H2O, were isolated when a product, obtained by water removal from aqueous C(NMe2)3F in a glass vessel, was recrystallized from CH3OH. The crystal structure of this salt was determined, and the structure of the free hexamethylguanidinium cation was calculated, showing that the propeller-shaped structure of the hexamethylguanidinium cation is not caused by solid state effects but is the true minimum energy structure.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1998
Accession Number
ADA386240

Entities

People

  • Jeffrey A. Sheehy
  • Karl O. Christe
  • Robert Bau
  • Xiongzhi Zhang

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Air Platforms
  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Absorption Coefficients
  • Air Force
  • Chemical Synthesis
  • Chemistry
  • Chlorides
  • Crystal Structure
  • Crystals
  • Density Functional Theory
  • Diffraction
  • Diffractometers
  • Dihedral Angle
  • Diseases And Disorders
  • Displacement
  • Single Crystals
  • Water
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

Readers

  • Electrochemical Surface Science
  • Materials Science and Engineering.
  • Quantum spin resonance or Electron Paramagnetic Resonance spectroscopy.