Journal
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
Volume 144, Issue -, Pages 319-322Publisher
ELSEVIER
DOI: 10.1016/j.elspec.2005.01.181
Keywords
ionic liquid; electronic structure; ultraviolet photoemission spectroscopy
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Electronic structures of room-temperature ionic liquids (RILs) were studied by ultraviolet photoemission spectroscopy (UPS) with synchrotron radiation. The samples contain 1-buthyl-3-methylimidazolium ion [bmim](+) as the common organic cation, combined with fluorine-containing inorganic anions. We also performed molecular orbital (MO) calculations for the isolated ions. Comparing the calculated density of the states with the observed spectra, we found that the top of the valence states in the liquid salts is derived from the organic cation, although the highest occupied molecular orbitals (HOMOs) of the isolated anions are higher than that of the isolated cation. The Madelung energies at the surface region, which are probably responsible for this reversal, are estimated by comparison between UPS and MO calculation. We also simulated the observed spectra based on the independent-atomic-center (IAC) approximation. (c) 2005 Elsevier B.V. All rights reserved.
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