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Title: Photoelectron Spectroscopy and Electronic Structures of Fullerene Oxides: C 60O x - ( x = 1-3)

Abstract

We report a photoelectron spectroscopy (PES) study on a series of fullerene oxides, C 60O x - (x = 1-3). The PES spectra reveal one isomer for C 60O -, two isomers for C 60O 2 -, and multiple isomers for C 60O 3 -. Compared to C 60, the electronic structures of C 60O x are only slightly perturbed, resulting in similar anion photoelectron spectra. The electron affinity of C 60O x was observed to increase only marginally with the number of oxygen atoms, x, from 2.683 eV for C 60, to 2.745 eV for C 60O, and 2.785 eV/2.820 eV for C 60O 2 (two isomers). We also carried out theoretical calculations, which confirmed the observed isomers and showed that all the fullerene oxides are in the form of epoxide. Finally, the PES and theoretical calculations, as well as molecular orbital analysis, indicate that addition of oxygen atoms to the C 60 cage only modifies the local carbon network and leave the rest of the fullerene cage largely intact geometrically and electronically.

Authors:
; ; ;
Publication Date:
Research Org.:
Environmental Molecular Sciences Laboratory (EMSL), Richland, WA (United States); Washington State Univ., Richland, WA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER)
OSTI Identifier:
1152412
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory; Journal Volume: 109; Journal Issue: 49
Country of Publication:
United States
Language:
English

Citation Formats

Wang, Xue-Bin, Woo, Hin-Koon, Kiran, Boggavarapu, and Wang, Lai-Sheng. Photoelectron Spectroscopy and Electronic Structures of Fullerene Oxides: C60O x- (x = 1-3). United States: N. p., 2005. Web. doi:10.1021/jp055775e.
Wang, Xue-Bin, Woo, Hin-Koon, Kiran, Boggavarapu, & Wang, Lai-Sheng. Photoelectron Spectroscopy and Electronic Structures of Fullerene Oxides: C60O x- (x = 1-3). United States. doi:10.1021/jp055775e.
Wang, Xue-Bin, Woo, Hin-Koon, Kiran, Boggavarapu, and Wang, Lai-Sheng. Thu . "Photoelectron Spectroscopy and Electronic Structures of Fullerene Oxides: C60O x- (x = 1-3)". United States. doi:10.1021/jp055775e.
@article{osti_1152412,
title = {Photoelectron Spectroscopy and Electronic Structures of Fullerene Oxides: C60O x- (x = 1-3)},
author = {Wang, Xue-Bin and Woo, Hin-Koon and Kiran, Boggavarapu and Wang, Lai-Sheng},
abstractNote = {We report a photoelectron spectroscopy (PES) study on a series of fullerene oxides, C60Ox- (x = 1-3). The PES spectra reveal one isomer for C60O-, two isomers for C60O2-, and multiple isomers for C60O3-. Compared to C60, the electronic structures of C60Ox are only slightly perturbed, resulting in similar anion photoelectron spectra. The electron affinity of C60Ox was observed to increase only marginally with the number of oxygen atoms, x, from 2.683 eV for C60, to 2.745 eV for C60O, and 2.785 eV/2.820 eV for C60O2 (two isomers). We also carried out theoretical calculations, which confirmed the observed isomers and showed that all the fullerene oxides are in the form of epoxide. Finally, the PES and theoretical calculations, as well as molecular orbital analysis, indicate that addition of oxygen atoms to the C60 cage only modifies the local carbon network and leave the rest of the fullerene cage largely intact geometrically and electronically.},
doi = {10.1021/jp055775e},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 49,
volume = 109,
place = {United States},
year = {Thu Dec 01 00:00:00 EST 2005},
month = {Thu Dec 01 00:00:00 EST 2005}
}