Electronic Structures and Chemical Bonding of Fluorinated Fullerenes Studied by NEXAFS, UPS, and Vacuum-UV Absorption Spectroscopies

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 102; no. 3; pp. 552 - 560
• Main Authors: Mitsumoto, Ryuichi, Araki, Tohru, Ito, Eisuke, Ouchi, Yukio, Seki, Kazuhiko, Kikuchi, Koichi, Achiba, Yohji, Kurosaki, Hiroshi, Sonoda, Takaaki, Kobayashi, Hiroshi, Boltalina, Olga V, Pavlovich, Valeria K, Sidorov, Lev N, Hattori, Yoshiyuki, Liu, Ning, Yajima, Sumitoshi, Kawasaki, Shinji, Okino, Fujio, Touhara, Hidekazu
• Format: Journal Article
• Language: English
• Published: American Chemical Society 15.01.1998
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp972863t

The chemical bonding and the electronic structures of C60F x and C70F x were investigated by near edge X-ray absorption fine structure (NEXAFS) spectroscopy and UV photoemission spectroscopy (UPS), which are useful methods for examining the unoccupied and the occupied states, respectively. With these results and XPS measurements, we derived the electronic energy diagram of C60F x and discussed the change of the electronic structure from that of C60 by fluorination. The energies of the LUMO and the Fermi level of solid C60F48 were estimated to be −5.0 and −5.4 eV below the vacuum level, indicating that highly doped C60F x is a strong electron acceptor. The electronic absorption spectra of C60F x solutions deep into the vacuum-ultraviolet region were also measured, and the isomerism of C60F x was discussed by comparing the observed results with theoretical simulations.