A5083034075- Atomic and Molecular Physics
- Advanced Chemical Physics Studies
- Mass Spectrometry Techniques and Applications
- Electron and X-Ray Spectroscopy Techniques
Universidade Federal do Rio de Janeiro
2020-2023
The relative stability of pyrrole derivatives were investigated by applying a global minimum (GM) search for the low-lying energy structures C4HnN (n = 3–5) clusters at neutral, anionic, and cationic states. Several low-energy structures, previously not reported, identified. present results reveal preference cyclic conjugated systems C4H5N C4H4N compounds. In particular, neutral C4H3N species are different from anionic ones. For neutrals cations, cumulenic carbon chains found, while anions,...
In this work, we report a systematic search of metastable C6Hn2+ (n = 1-6) dications from electron impact time-of-flight measurements several benzene derivatives in combination with global minimum based on the genetic algorithm. Our theoretical calculations reveal that < 6) structures are completely different dication, featuring linear carbon chains and/or cyclopropenylium moieties. Experimentally, doubly charged species were investigated for wide range energies, 20 to 2000 eV, and...