Computationally Based Measures of Amine Azide Basicity and Their Correlation With Hypergolic Ignition Delays

摘要

To explore a hypothesis that hypergolic ignition delays for fuel- nitric acid combinations are a function of the fuel's basicity, measures of base strength are computed for various azides, amines, amine azides, and hydrazines and compared to ignition delay data. Measures of base strength considered include gas-phase proton affinities, heats of neutralization for reactions leading to ion pairs, and heats of reaction for fuel-nitric acid complexation. The measures quantify substituent-mediated basicity differences between sites with lone pair electrons, but they do not appear to be good predictors of ignition delay. The failure of the hypothesis is discussed.