Electronic structure of the 6+6 dimer of tropone

I. D. Reingold, J. A. Kowaiski, G. C. Cummings, R. Gleiter, H. Lange, S. Lovell, B. Kahr, K. Aflatooni, P. D. Burrow, G. A. Gallup

Research output: Contribution to journalArticle

Abstract

Photoelectron and electron transmission (ET) spectroscopy were used to determine the ionization potentials and vertical electron attachment energies, respectively, of the 6+6 dimer of tropone. These measurements are combined with electronic structure calculations to provide insight into the extent of the coupling between the two cycloheptadienone ring systems. The ground state anion is predicted to be slightly stable as a consequence of the interaction between the π* orbital s of the C=O and butadiene groups.

Original languageEnglish (US)
Pages (from-to)642-646
Number of pages5
JournalJournal of Physical Organic Chemistry
Volume19
Issue number10
DOIs
StatePublished - Oct 2006

Keywords

  • Electron transmission spectroscopy
  • Orbital coupling
  • Photoelectron spectroscopy
  • Tropone

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry

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    Reingold, I. D., Kowaiski, J. A., Cummings, G. C., Gleiter, R., Lange, H., Lovell, S., Kahr, B., Aflatooni, K., Burrow, P. D., & Gallup, G. A. (2006). Electronic structure of the 6+6 dimer of tropone. Journal of Physical Organic Chemistry, 19(10), 642-646. https://doi.org/10.1002/poc.1108