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

doi:10.1002/poc.1108

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

Chemistry

Research output: Contribution to journal › Article › peer-review

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 language	English (US)
Pages (from-to)	642-646
Number of pages	5
Journal	Journal of Physical Organic Chemistry
Volume	19
Issue number	10
DOIs	https://doi.org/10.1002/poc.1108
State	Published - 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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10.1002/poc.1108

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title = "Electronic structure of the 6+6 dimer of tropone",

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.",

keywords = "Electron transmission spectroscopy, Orbital coupling, Photoelectron spectroscopy, Tropone",

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

year = "2006",

month = oct,

doi = "10.1002/poc.1108",

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volume = "19",

pages = "642--646",

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T1 - Electronic structure of the 6+6 dimer of tropone

AU - Reingold, I. D.

AU - Kowaiski, J. A.

AU - Cummings, G. C.

AU - Gleiter, R.

AU - Lange, H.

AU - Lovell, S.

AU - Kahr, B.

AU - Aflatooni, K.

AU - Burrow, P. D.

AU - Gallup, G. A.

PY - 2006/10

Y1 - 2006/10

N2 - 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.

AB - 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.

KW - Electron transmission spectroscopy

KW - Orbital coupling

KW - Photoelectron spectroscopy

KW - Tropone

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DO - 10.1002/poc.1108

M3 - Article

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EP - 646

JO - Journal of Physical Organic Chemistry

JF - Journal of Physical Organic Chemistry

IS - 10

ER -

Electronic structure of the 6+6 dimer of tropone

Abstract

Keywords

ASJC Scopus subject areas

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