Heats of Formation, Structures and Relative Stabilities of Some Tetraazapentalene-Related Molecules.
Abstract
A density functional procedure has been used to compute gas phase heats of formation for a group of high nitrogen molecules, primarily tetraazapentalene derivatives. Optimized structures and relative energies were computed for the key molecular framework and several isomeric forms. It is speculated that the unexpected tetraazapentalene stability that is observed experimentally is related to the relatively positive character of the triply-coordinated nitrogens. jg
Document Details
- Document Type
- Technical Report
- Publication Date
- Jun 20, 1995
- Accession Number
- ADA295662
Entities
People
- M. Edward Grice
- Peter Politzer
Organizations
- University of New Orleans