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UPS and DFT investigation of the electronic structure of gas-phase trimesic acid
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- Reisberg, L. (author)
- University of Tartu
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- Pärna, R. (author)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory,University of Tartu
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- Kikas, A. (author)
- University of Tartu
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- (creator_code:org_t)
- Elsevier BV, 2016
- 2016
- English 6 s.
- In: Journal of Electron Spectroscopy and Related Phenomena. - : Elsevier BV. - 0368-2048. ; 213, s. 11-16
- Journal article (peer-reviewed)
Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Keyword
- Benzene-1,3,5-tricarboxylic acid
- Electronic structure
- Trimesic acid
- Valence band photoemission
Publication and Content Type
- art (subject category)
- ref (subject category)
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- Reisberg, L.
- Pärna, R.
- Kikas, A.
- Kuusik, I.
- Kisand, V.
- Hirsimäki, M.
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- Valden, M.
- Nõmmiste, E.
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- NATURAL SCIENCES
- NATURAL SCIENCES
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