Accession Number:

AD0837148

Title:

BOND CHARACTER AND THE METASTABILITY OF PLOSOPHORIC GROUPS OF MILITARY SIGNIFICANCE

Descriptive Note:

Corporate Author:

ARMY MOBILITY EQUIPMENT RESEARCH AND DEVELOPMENT COMMAND FORT BELVOIR VA

Personal Author(s):

• McMillan, Robert C.

Report Date:

1968-01-01

Pagination or Media Count:

12.0

Abstract:

An algorithm is described for calculating bond energies which was used successfully to calculate bond energies for the azides. Not only can the total bonding of the molecule be calculated, but the individual bonds within the molecule may be estimated. These individual bond energies provide a basis for estimating the activation energy for decomposition kinetics. Two mechanisms of reactions in the azides are illustrated by HN3 and PbN6. In the molecule of HN3 the weak bond is in the azide group, but for PbN6 the weak bond is the metal- azide bond.

Descriptors:

• *MOLECULAR ORBITALS
• *AZIDES
• ALGORITHMS
• REACTION KINETICS
• NUMERICAL ANALYSIS
• EXPLOSIVES
• HEAT OF ACTIVATION
• AMMONIA
• CHEMICAL BONDS
• LEAD COMPOUNDS
• DECOMPOSITION
• MOLECULAR ENERGY LEVELS

Subject Categories:

• Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE