Electronic structure of the 6+6 dimer of tropone

I. D. Reingold, J. A. Kowaiski, G. C. Cummings, R. Gleiter, H. Lange, S. Lovell, Bart 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

Fingerprint

electron attachment
butadiene
ionization potentials
Dimers
Electronic structure
photoelectrons
dimers
electronic structure
anions
orbitals
ground state
Electrons
Ionization potential
rings
Photoelectrons
Ground state
spectroscopy
Anions
electrons
interactions

Keywords

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

ASJC Scopus subject areas

  • Organic Chemistry
  • Physical and Theoretical Chemistry

Cite this

Reingold, I. D., Kowaiski, J. A., Cummings, G. C., Gleiter, R., Lange, H., Lovell, S., ... 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

Electronic structure of the 6+6 dimer of tropone. / Reingold, I. D.; Kowaiski, J. A.; Cummings, G. C.; Gleiter, R.; Lange, H.; Lovell, S.; Kahr, Bart; Aflatooni, K.; Burrow, P. D.; Gallup, G. A.

In: Journal of Physical Organic Chemistry, Vol. 19, No. 10, 10.2006, p. 642-646.

Research output: Contribution to journalArticle

Reingold, ID, Kowaiski, JA, Cummings, GC, Gleiter, R, Lange, H, Lovell, S, Kahr, B, Aflatooni, K, Burrow, PD & Gallup, GA 2006, 'Electronic structure of the 6+6 dimer of tropone', Journal of Physical Organic Chemistry, vol. 19, no. 10, pp. 642-646. https://doi.org/10.1002/poc.1108
Reingold ID, Kowaiski JA, Cummings GC, Gleiter R, Lange H, Lovell S et al. Electronic structure of the 6+6 dimer of tropone. Journal of Physical Organic Chemistry. 2006 Oct;19(10):642-646. https://doi.org/10.1002/poc.1108
Reingold, I. D. ; Kowaiski, J. A. ; Cummings, G. C. ; Gleiter, R. ; Lange, H. ; Lovell, S. ; Kahr, Bart ; Aflatooni, K. ; Burrow, P. D. ; Gallup, G. A. / Electronic structure of the 6+6 dimer of tropone. In: Journal of Physical Organic Chemistry. 2006 ; Vol. 19, No. 10. pp. 642-646.
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AU - Kahr, Bart

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