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

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

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.

Detaljer

Författare
  • L. Reisberg
  • R. Pärna
  • A. Kikas
  • I. Kuusik
  • V. Kisand
  • M. Hirsimäki
  • M. Valden
  • E. Nõmmiste
Enheter & grupper
Externa organisationer
  • University of Tartu
  • Tampere University of Technology
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Teoretisk kemi

Nyckelord

Originalspråkengelska
Sidor (från-till)11-16
Antal sidor6
TidskriftJournal of Electron Spectroscopy and Related Phenomena
Volym213
StatusPublished - 2016 nov 1
PublikationskategoriForskning
Peer review utfördJa