Gas-phase reaction of fullerene monocations with 2,3-benzofluorene indicates the importance of charge exchanges

Abstract

Fullerene and polycyclic aromatic hydrocarbon (PAH) molecules, as well as their cations and clusters, are of great interest in astrochemistry. In this work, the ion-molecule collision reaction between fullerene (e.g. a C54/56/58 and C60 system or a C64/66/68 and C70 system) monocations and neutral PAHs (e.g. 2,3-benzofluorene, C17H12) is studied in the gas phase to determine the importance of charge exchanges and to illustrate the competition between charge transfer and molecular adduct formation channels. The experimental results show that the charge transfer channel is the dominant channel (i.e. charge exchange) in the reaction between fullerene (C60 and C70) monocations and 2,3-benzofluorene, while the molecular adduct formation channels are the dominant channels in the reaction between fullerene (C54/56/58 and C64/66/68) monocations and 2,3-benzofluorene. The observed reaction behaviours are investigated with quantum calculations, and the CH2 unit binding effect of 2,3-benzofluorene is determined to be the main reason for the results. Our findings on the ion-molecule collision reaction between fullerene monocations and 2,3-benzofluorene provide a good model for understanding the physical-chemical processes of the charge transfer channel and the cluster adduct formation channels. Neutral fullerenes (C60 and C70) increase the abundance of their monocations through collision reactions with coexisting neutral molecules in the interstellar medium.