Quantum Mechanical Studies on Chemical Reactivity and Ballistic Chemistry. VI. Literature Review on the Relationship between Structure and Reactivity in Isomeric Tetrazole Derivatives.

摘要

As part of a program of molecular orbital calculations on the chemistry of compounds of explosive and propellant interest, a review and comparison of published reactivity differences among isomeric 1- and 2-substituted tetrazole derivatives is given. It is found that 1-substituted-5-tetrazolyl groups appear to be considerably more electron-withdrawing than do the isomeric 2-substituted-5-tetrazolyl groups. The relative reactivities of substituents at positions 1 and 2 of isomeric pairs of tetrazole derivatives are also reviewed, but it is harder to distinguish any systematic trend for the N-substituents. (Author)