Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy

Autor:	Jusko, Pavol, Simon, Aude, Wenzel, Gabi, Brünken, Sandra, Schlemmer, Stephan, Joblin, Christine
Rok vydání:	2018
Předmět:	Physics - Chemical Physics
Druh dokumentu:	Working Paper
DOI:	10.1016/j.cplett.2018.03.028
Popis:	The fragment of the 1-methylpyrene cation, C17H11+, is expected to exist in two isomeric forms, 1-pyrenemethylium PyrCH2+ and the tropylium containing species PyrC7+ . We measured the infrared (IR) action spectrum of cold C17H11+ tagged with Ne using a cryogenic ion trap instrument coupled to the FELIX laser. Comparison of the experimental data with density functional theory calculations allows us to identify the PyrCH2+ isomer in our experiments. The IR Multi-Photon Dissociation spectrum was also recorded following the C2H2 loss channel. Its analysis suggests combined effects of anharmonicity and isomerisation while heating the trapped ions, as shown by molecular dynamics simulations. Comment: Chemical Physics Letters, Elsevier, In press
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1801.08844 Zobrazit plný text záznamu View this record from Arxiv