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MO: Fachverband Molekülphysik
MO 6: Electronic Spectroscopy II
MO 6.3: Vortrag
Dienstag, 10. März 2020, 14:30–14:45, f102
Photoelectron spectroscopy of Boron containing reactive intermediates using synchrotron radiation and photoelectron/photoion coincidence (i2PEPICO) spectroscopy — •Deb Pratim Mukhopadhyay1, Domenik Schleier1, Ingo Fischer1, Jean-Christophe Loison2, Christian Alcaraz3, and Gustavo Garcia4 — 1Institute for Physical and Theoretical Chemistry, University of Würzburg, Würzburg, Germany — 2Université de Bordeaux, Talence, France. — 3Univ. Paris-Sud and Paris Saclay, Orsay, France. — 4Synchrotron SOLEIL, Gif sur Yvette, France
Determination of accurate ionization and appearance energies, as well as recording photoelectron spectra (PES), are always crucial for any reactive intermediate as it permits to derive accurate binding energies, standard heats of formation and nature of bonding. BH2, a simple hydride and a free radical with only seven electrons but the IE, as well as PES, was not measured yet. As the photoionization leads to a linear cation from a bent neutral molecule, recording of vibrationally resolved PES, as well as spectral simulation, are both challenging. In this study, we report the first recorded slow photoelectron spectrum (SPES) of BH2 and precisely determined its IE as about 8.12 eV. Recorded SPES portrayed a long progression of bending vibration indicating a large change of bond angle upon ionization. Spectral simulation is also done by calculating Franck-Condon (FC) factors between neutral and cationic states. Apart from that we also record SPES of BH from both ground singlet and triplet states which allow us to first experimentally determined the singlet/triplet gap of BH.