title: Exploring covalently bonded diamondoid particles with valence photoelectron spectroscopy.
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.
authors.affiliation: Institut für Optik und Atomare Physik, Technische Universität Berlin, EW 3-1, Hardenbergstr. 36, 10623 Berlin, Germany.
authors.forename: Tobias
authors.initials: T
authors.lastname: Zimmermann
authors.forename: Robert
authors.initials: R
authors.lastname: Richter
authors.forename: Andre
authors.initials: A
authors.lastname: Knecht
authors.forename: Andrey A
authors.initials: AA
authors.lastname: Fokin
authors.forename: Tetyana V
authors.initials: TV
authors.lastname: Koso
authors.forename: Lesya V
authors.initials: LV
authors.lastname: Chernish
authors.forename: Pavel A
authors.initials: PA
authors.lastname: Gunchenko
authors.forename: Peter R
authors.initials: PR
authors.lastname: Schreiner
authors.forename: Thomas
authors.initials: T
authors.lastname: Möller
authors.forename: Torbjörn
authors.initials: T
authors.lastname: Rander