Abstract:Controlling the selectivity of a detonation initiation reaction of explosive is essential to reduce sensitivity, and it seems impossible to reduce it by strengthening the external electric field. To verify this, the effects of external electric fields on the initiation reactions in NH2NO2∙∙∙NH3, a model system of the nitroamine explosive with alkaline additive, were investigated at the MP2/6-311++G(2d,p) and CCSD(T)/6-311++G(2d,p) levels. The concerted effect in the intermolecular hydrogen exchange is characte… Show more
“…Essential in many chemical and physical phenomena and processes, the impact of external fields has attracted noticeable attention lately in the literature 1–16 because it can influence the molecular structure, 17–22 chemical reactivity, 23–28 and other electronic properties. 29–34 In a previous study, we investigated the impact of uniform external electric fields on molecular acidity and aromaticity propensities for the benzoic acid molecule.…”
Our recent study [Phys. Chem. Chem. Phys. 2023, 25, 2595-2605] unveiled that the impact of an external electric field on molecular acidity and aromaticity for benzoic acid is directional, which...
“…Essential in many chemical and physical phenomena and processes, the impact of external fields has attracted noticeable attention lately in the literature 1–16 because it can influence the molecular structure, 17–22 chemical reactivity, 23–28 and other electronic properties. 29–34 In a previous study, we investigated the impact of uniform external electric fields on molecular acidity and aromaticity propensities for the benzoic acid molecule.…”
Our recent study [Phys. Chem. Chem. Phys. 2023, 25, 2595-2605] unveiled that the impact of an external electric field on molecular acidity and aromaticity for benzoic acid is directional, which...
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