Sensing the ortho Positions in C₆Cl₆ and C₆H₄Cl₂ from Cl₂^- Formation upon Molecular Reduction.

ABSTRACT: The geometrical effect of chlorine atom positions in polyatomic molecules after capturing a low-energy electron is shown to be a prevalent mechanism yielding Cl₂^-. In this work, we investigated hexachlorobenzene reduction in electron transfer experiments to determine the role of chlorine atom positions around the aromatic ring, and compared our results with those using ortho-, meta- and para-dichlorobenzene molecules. This was achieved by combining gas-phase experiments to determine the reaction threshold by means of mass spectrometry together with quantum chemical calculations. We also observed that Cl₂^- formation can only occur in 1,2-C₆H₄Cl₂, where the two closest C-Cl bonds are cleaved whi

SUBMITTER: Kumar S 

PROVIDER: S-EPMC9369944 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature