The C1s shakeup spectra of Buckminsterfullerene, acenaphthylene, and naphthalene, studied by high resolution x-ray photoelectron spectroscopy and quantum mechanical calculations

Abstract

The C1s core photoelectron shakeup spectrum of fullerene has been studied experimentally and theoretically, as well as the corresponding spectra of the smaller model compounds acenaphthylene and naphthalene. It is found that many of the shakeup excitations of C60 can be classified in terms of excitations found in the model compounds. A population analysis of the orbitals involved reveals a systematic behavior, enabling a generalization to extended aromatic systems and to an infinite graphite layer.

Electronic structure investigation of biphenylene films

“…It is important to mention previous experimental and theoretical studies [35][36][37] that have investigated in great details the shake-up spectra of molecules of increasing complexity, from small aromatic molecules such as benzene, naphthalene, and acenaphthylene to C 60 . These works explained some characteristic features observed in the photoelectron spectra of such molecules.…”

Interaction of C60 with Isoelectronic Surfaces: Graphite and Hexagonal Boron Nitride

“…The bottom spectrum corresponds to the bare sp 2 BN surface, a detailed discussion of the VB of various BN films is given in references 15,16 . The characteristic features of C 60 are superimposed on the BN spectrum and correspond to the VB-spectra described in the literature [22][23][24][25][26][27] . The HOMO (highest Y5.22.2 occupied molecular orbital) peak of C 60 is positioned at 2.0 eV binding energy.…”

HAXPES studies of solid materials for applications in energy and information technology using the HIKE facility at HZB-BESSY II

“…When the blended samples were studied, using laboratory x--ray photoelectron spectroscopy and photon energies of around 1500 eV, no shakeup satellites could be found. However, as has been investigated earlier the fullerene system is characterized by a relatively strong shakeup satellite at about 4 and 6 eV from the main line [17]. The polymer does not have satellites at this position.…”

“…The electron inelastic mean-free path is thus approaching 10 nm for this high kinetic energy, and the surface contribution is consequently almost negligible. 16 The spectrum has been fitted using Doniach-Sunjic line profiles 17 for each peak ͑sat-ellites and main lines͒ and Shirley backgrounds 18 for each spin-orbit component. The satellite structure associated with the Ni 2p 3/2 and Ni 2p 1/2 core photoelectron lines are found at 6.0Ϯ 0.2 and 4.6Ϯ 0.2 eV lower kinetic energies with respect to the main lines.…”