Molecular Weight Growth in the Gas-Phase Reactions of Dehydroanilinium Radical Cations with Propene.

Abstract

Protonated aniline-one of the simplest nitrogen-bearing aromatic molecules-is speculated to be present within Titan's atmosphere, where it could play a role in molecular weight growth chemistry. To investigate this possibility, this paper examines the reactions of propene with distonic radical cations derived from protonated aniline. The reaction kinetics, products, and branching ratios of these distonic radical cations (i.e., 2-, 3-, and 4-dehydroanilinium radical cations) are measured in the gas phase using ion-trap mass spectrometry, and calculations (M06-2X/6-31G(2df,p) and G3X-K) are used to rationalize the results. The reaction efficiencies for the 2-, 3-, and 4-dehydroanilinium radica..