Hannover 2013 – scientific programme
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MO: Fachverband Molekülphysik
MO 1: Cluster
MO 1.4: Talk
Monday, March 18, 2013, 11:45–12:00, F 102
Electronic structure of diamondoid aggregates — •Tobias Zimmermann1, Robert Richter1, Torbjörn Rander1, Andrey A. Fokin2, Tetyana V. Koso2, Lesya V. Chernish2, Pavel A. Gunchenko2, Peter Schreiner2, and Thomas Möller1 — 1Institut für Optik und Atomare Physik, Technische Universität Berlin, Germany — 2Institut für Organische Chemie, Justus-Liebig Universität Gießen, Germany
We investigate the electronic structure of diamondoid aggregates in the gas phase with valence photoelectron spectroscopy. The samples are aggregates of the lower diamondoids adamantane, diamantane and triamantane. The diamandoid constituents are connected with CC-single- or double-bonds. The investigations show an influence on the electronic structure of the samples by the bond type as well as the combination of the bonding partners. For singly bound aggregates only a small impact of the bond type on the electronic structure is observed. In fact a superposition of the bonding partner orbitals describes the aggregate orbitals well. The strength of quantum confinement effects is shown to depend on the bonding partner orbital energy difference. The spectra of doubly bound aggregates show significantly lower influence of the bonding partner sizes instead. Rather the HOMO can be ascribed to the CC-double-bond. Density functional theory supports our interpretations.