Quantum-Mechanical Studies on Chemical Reactivity and Ballistic Chemistry. VII. Semiempirical Molecular Orbital Calculations and Experimental Studies on Relative Chemical Reactivities of Isomeric Tetrazole Derivatives, and their Relationship to the Explosive Properties of some Tetrazole Derivatives
Abstract
A number of observations in the literature indicate that the reactivity of side-chain substituents on tetrazoles (and other azoles as well) depends strikingly on whether the trivalent (pyrrole-type) nitrogen atom is located at the 1- or the 2- position of the tetrazole ring; this dependence has been observed in decarboxylation, hydrogen exchange, diazotization, nucleophilic substitution and other reactions. To understand these differences, physical measurements have been carried out on a number of tetrazole derivatives. 1H, 19F and 13C NMR studies, as well as dissociation constant measurements, have been carried out on a variety of isomeric pairs of tetrazole derivatives.
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 01, 1981
- Accession Number
- ADA107288
Entities
People
- Michael A. Schroeder
- Ronald A. Henry
Organizations
- Ballistic Research Laboratory