Structure and Thermodynamic Properties of Nitroformic Acid, Nitroformyl Nitrate, and Ammonium Nitroformate

Authors

David W. Ball, Cleveland State UniversityFollow

Document Type

Article

Publication Date

6-2012

Publication Title

Structural Chemistry

Abstract

As part of a series of investigations of molecules with large numbers of nitro groups, the structures and properties of nitroformic acid, NO₂CO₂H, nitroformyl nitrate, NO₂C(O)ONO₂, and the ion pair ammonium nitroformate, NH₄NO₂CO₂, have been determined using GX theories (X = 2, 3, 4). Minimum-energy structures, vibrational frequencies, selected bond energies, and enthalpies of formation were determined. The title substances may not have much application as high energy materials like other high-nitro compounds, but they may act as good nitrating agents since certain bonds in the molecules are of low enough energy to suggest high reactivity.

Recommended Citation

Ball, D. Structure and thermodynamic properties of nitroformic acid, nitroformyl nitrate, and ammonium nitroformate. Structural Chemistry 2012, 23, 693-701.

DOI

10.1007/s11224-011-9915-8

Publisher's Statement

“The final publication is available at link.springer.com”.

Volume

23

Issue

3