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

L. Reisberg, R. Pärna, A. Kikas, I. Kuusik, V. Kisand, M. Hirsimäki, M. Valden, E. Nõmmiste

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)11-16
Number of pages6
JournalJournal of Electron Spectroscopy and Related Phenomena
Volume213
DOIs
Publication statusPublished - 2016 Nov 1

Subject classification (UKÄ)

  • Theoretical Chemistry

Free keywords

  • Benzene-1,3,5-tricarboxylic acid
  • Electronic structure
  • Trimesic acid
  • Valence band photoemission

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