Affiliation:
1. Université Paris-Saclay, CNRS Laboratoire de Physique des Gaz et des Plasmas 91405 Orsay France
2. Huazhong Univ. Sci. & Technol., Sch. Energy & Power Engn. Dept. Nucl. Engn. & Technol. Wuhan 430074 Hubei P. R. China
3. Université Paris-Saclay, CNRS Institut de Chimie Physique UMR8000 91405 Orsay France
Abstract
AbstractThe fluorene cation is a frequently studied molecule in the context of fragmentation experiments. This is because of its potential role in interstellar chemistry, notably as a precursor of PAH cages. In this paper, we analyze H, H+, H2 and
losses from the fluorene cation using the SMF (Statistical Molecular Fragmentation) model. We calculate the probabilities of all the 534 possible fragmentation channels as a function of the excitation energy, up to the loss of three hydrogens. Four different types of hydrogen atom pairings (from the same carbon, from the same ring, from different rings and across‐the‐bay) have been tested in order to determine which types contribute to the actual production of hydrogen molecules. The simulated breakdown curves are in very good agreement with different experimental results when same ring pairing is taken into account. It was possible to deduce from the model the locations of the emitted H, H+, H2 and
species.
Subject
Physical and Theoretical Chemistry,Atomic and Molecular Physics, and Optics