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UPS and DFT investigation of the electronic structure of gas-phase trimesic acid

Reisberg, L.; Pärna, R. LU ; Kikas, A.; Kuusik, I.; Kisand, V.; Hirsimäki, M.; Valden, M. and Nõmmiste, E. (2016) In Journal of Electron Spectroscopy and Related Phenomena 213. p.11-16
Abstract

Benzene-1,3,5-tricarboxylic acid (trimesic acid, TMA) molecules in gas-phase have been investigated by using valence band photoemission. The photoelectron spectrum in the binding energy region from 9 to 22 eV is interpreted by using density functional theory calculations. The electronic structure of TMA is compared with benzene and benzoic acid in order to demonstrate changes in molecular orbital energies induced by addition of carboxyl groups to benzene ring.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Benzene-1,3,5-tricarboxylic acid, Electronic structure, Trimesic acid, Valence band photoemission
in
Journal of Electron Spectroscopy and Related Phenomena
volume
213
pages
6 pages
publisher
Elsevier
external identifiers
  • scopus:84992751140
  • wos:000390078900002
ISSN
0368-2048
DOI
10.1016/j.elspec.2016.10.004
language
English
LU publication?
yes
id
1969721d-f12b-4009-bfe9-9bf9b4c32534
date added to LUP
2016-11-14 10:11:52
date last changed
2017-11-12 04:26:06
@article{1969721d-f12b-4009-bfe9-9bf9b4c32534,
  abstract     = {<p>Benzene-1,3,5-tricarboxylic acid (trimesic acid, TMA) molecules in gas-phase have been investigated by using valence band photoemission. The photoelectron spectrum in the binding energy region from 9 to 22 eV is interpreted by using density functional theory calculations. The electronic structure of TMA is compared with benzene and benzoic acid in order to demonstrate changes in molecular orbital energies induced by addition of carboxyl groups to benzene ring.</p>},
  author       = {Reisberg, L. and Pärna, R. and Kikas, A. and Kuusik, I. and Kisand, V. and Hirsimäki, M. and Valden, M. and Nõmmiste, E.},
  issn         = {0368-2048},
  keyword      = {Benzene-1,3,5-tricarboxylic acid,Electronic structure,Trimesic acid,Valence band photoemission},
  language     = {eng},
  month        = {11},
  pages        = {11--16},
  publisher    = {Elsevier},
  series       = {Journal of Electron Spectroscopy and Related Phenomena},
  title        = {UPS and DFT investigation of the electronic structure of gas-phase trimesic acid},
  url          = {http://dx.doi.org/10.1016/j.elspec.2016.10.004},
  volume       = {213},
  year         = {2016},
}