Hannover 2013 – scientific programme
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MO: Fachverband Molekülphysik
MO 26: Electronic Spectroscopy II
MO 26.1: Talk
Thursday, March 21, 2013, 14:00–14:15, F 107
Threshold photoelectron spectrum of the methylene amidogen radical H2CN and its isomers — •Fabian Holzmeier1, Melanie Lang1, Ingo Fischer1, Andras Bodi2, and Patrick Hemberger2 — 1Institut für Physikalische und Theoretische Chemie, Julius-Maximilians-Universität Würzburg, 97074 Würzburg, Germany — 2Swiss Light Source, Paul-Scherrer-Institut, 5232 Villigen PSI, Switzerland
As bio-fuels become more and more important, the investigation of their combustion mechanisms is of great interest. Therefore, the characterization of possible nitrogen-containing combustion products is necessary. One of those nitrogen-containing intermediates is the methylene amidogen radical. This radical was generated by flash pyrolysis of methylhydrazine. In an iPEPICO-experiment (imaging Photoelectron Photoion Coincidence) at the Swiss Light Source synchrotron a mass-selected threshold photoelectron spectrum was obtained. The spectrum shows multiple different features, which can be assigned to four different isomers of the sum formula H2CN: H2CN, cis-HCNH, trans-HCNH, and H2NC. In addition, the structure of a cationic transition state on the singlet potential energy surface was identified in the photoelectron spectrum. The experiment was validated by quantum chemical calculations and Franck-Condon-simulations. Hence, adiabatic ionization energies of the methylene amidogen radical and its isomers were determined.