Berlin 2014 – scientific programme
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MO: Fachverband Molekülphysik
MO 8: Electronic Spectroscopy 1
MO 8.7: Talk
Tuesday, March 18, 2014, 15:45–16:00, BEBEL HS213
Threshold Photoionization of the 2-methylallyl radical — •Melanie Lang1, Fabian Holzmeier1, Ingo Fischer1, and Patrick Hemberger2 — 1Institut of Physical and Theoretical Chemistry, Am Hubland Süd, D-97074 Würzburg, Germany — 2Molecular Dynamics Goup, Paul Scherrer Institut (PSI), CH-5232 Villigen PSI, Switzerland
Small radicals like 2-methylallyl are supposed to be reactive intermediates in combustion processes. Combustion-relevant molecules can be detected by photoionization in flames on-line. To assign a structure requires the knowledge of the ionization energy (IE) of the investigated reactive species. For this purpose we created 2-methylallyl by vacuum flash pyrolysis from 2-bromo-3-propene.
We obtained a gas phase TPES (threshold photoelectron spectrum) with an adiabatic IE of 7.88 eV for the singlet cationic state with several vibrational bands. Furthermore we detected the triplet cation at 9.55 eV, 1.67 eV above the adiabatic ionization energy.