Journalartikel

Jahr der Veröffentlichung: 2013

Seiten: 084310-

Zeitschrift: The Journal of Chemical Physics

Bandnummer: 139

Heftnummer: 8

Open Access Status: Green

DOI Link: https://doi.org/10.1063/1.4818994

Verlag: American Institute of Physics

Abstract: 

We investigated the valence electronic structure of diamondoid particles in the gas phase, utilizing valence photoelectron spectroscopy. The samples were singly or doubly covalently bonded dimers or trimers of the lower diamondoids. Both the bond type and the combination of bonding partners are shown to affect the overall electronic structure. For singly bonded particles, we observe a small impact of the bond on the electronic structure, whereas for doubly bonded particles, the connecting bond determines the electronic structure of the highest occupied orbitals. In the singly bonded particles a superposition of the bonding partner orbitals determines the overall electronic structure. The experimental findings are supported by density functional theory computations at the M06-2X/cc-pVDZ level of theory.

Harvard-Zitierstil: Zimmermann, T., Richter, R., Knecht, A., Fokin, A., Koso, T., Chernish, L., et al. (2013) Exploring covalently bonded diamondoid particles with valence photoelectron spectroscopy, The Journal of Chemical Physics, 139(8), p. 084310. https://doi.org/10.1063/1.4818994

APA-Zitierstil: Zimmermann, T., Richter, R., Knecht, A., Fokin, A., Koso, T., Chernish, L., Gunchenko, P., Schreiner, P., Möller, T., & Rander, T. (2013). Exploring covalently bonded diamondoid particles with valence photoelectron spectroscopy. The Journal of Chemical Physics. 139(8), 084310. https://doi.org/10.1063/1.4818994