Excited state of protonated benzene and toluene

Journal Article · Fri Aug 21 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4928692· OSTI ID:22493541

Esteves-López, Natalia; Dedonder-Lardeux, Claude; Jouvet, Christophe ^[1]

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1. Aix-Marseille Université, CNRS, UMR-7345, Physique des Interactions Ioniques et Moléculaires (PIIM), Marseille (France)

We present photo-fragmentation electronic spectra of the simplest protonated aromatic molecules, protonated benzene and toluene, recorded under medium resolution conditions and compared with the photo-fragmentation spectrum of protonated pyridine. Despite the resolution and cold temperature achieved in the experiment, the electronic spectra of protonated benzene and toluene are structure-less, thus intrinsically broadened. This is in agreement with the large geometrical changes and the fast dynamic toward internal conversion predicted by ab initio calculations for protonated benzene [Rode et al., J. Phys. Chem. A 113, 5865–5873 (2009)].

• OSTI ID: 22493541
• Journal Information: Journal of Chemical Physics, Vol. 143, Issue 7; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BENZENE
COMPARATIVE EVALUATIONS
ELECTRON SPECTRA
EXCITED STATES
FRAGMENTATION
INTERNAL CONVERSION
MOLECULES
PYRIDINE
RESOLUTION
TOLUENE