Evolution of Gas-Phase Hyperthermal Fragmental Negative Ions of 1H-1,2,4-Triazole during Their Interaction with a Graphite-Like Conducting Surface

Abstract

It has been established that during the interaction of hyperthermal fragmentary negative ions of 1H-1,2,4-triazole: \({{{\text{C}}}_{{\text{2}}}}{{{\text{H}}}_{{\text{2}}}}{\text{N}}_{3}^{ - }\) and \({{{\text{C}}}_{{\text{2}}}}{\text{N}}_{3}^{ - }\) with the cleaned soot surface, the intensity of the ion yield curve of the \({{{\text{C}}}_{{\text{2}}}}{{{\text{H}}}_{{\text{2}}}}{\text{N}}_{3}^{ - }\) anion decreases, but the \({{{\text{C}}}_{{\text{2}}}}{\text{N}}_{3}^{ - }\) anion does not. A mechanism for neutralizing negative ions on the surface is proposed, based on density functional theory calculations and using a model of a surface-induced charge.