Journal article

Publication year: 2013

Pages: 084310-

Journal: The Journal of Chemical Physics

Volume number: 139

Issue number: 8

Open access status: Green

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

Publisher: 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 Citation style: 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 Citation style: 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