Spectroscopy of Ethylenedione

Andrew R. Dixon; Tian Xue; Andrei Sanov

doi:10.1002/anie.201503423

Spectroscopy of Ethylenedione

Andrew R. Dixon, Tian Xue, Andrei Sanov

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

30 Scopus citations

Abstract

The long sought-after, intrinsically short-lived molecule ethylenedione (OCCO) was observed and investigated by anion photoelectron spectroscopy. The adiabatic electron affinity of its quasi-bound ³Σ_g^- state is 1.936(8) eV. The vibrational progression with a 417(15) cm^-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the ¹Δ_g state and the ¹Σ_g⁺ state. The experimental results are in agreement with theoretical predictions and constitute the first spectroscopic observation and characterization of this elusive compound.

Original language	English (US)
Pages (from-to)	8764-8767
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	54
Issue number	30
DOIs	https://doi.org/10.1002/anie.201503423
State	Published - Jul 20 2015

Keywords

anions
diradicals
electronic structure
photoelectron spectroscopy
transient molecules

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1002/anie.201503423

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title = "Spectroscopy of Ethylenedione",

abstract = "The long sought-after, intrinsically short-lived molecule ethylenedione (OCCO) was observed and investigated by anion photoelectron spectroscopy. The adiabatic electron affinity of its quasi-bound 3Σg- state is 1.936(8) eV. The vibrational progression with a 417(15) cm-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the 1Δg state and the 1Σg+ state. The experimental results are in agreement with theoretical predictions and constitute the first spectroscopic observation and characterization of this elusive compound.",

keywords = "anions, diradicals, electronic structure, photoelectron spectroscopy, transient molecules",

author = "Dixon, {Andrew R.} and Tian Xue and Andrei Sanov",

note = "Publisher Copyright: {\textcopyright} 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.",

year = "2015",

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T1 - Spectroscopy of Ethylenedione

AU - Dixon, Andrew R.

AU - Xue, Tian

AU - Sanov, Andrei

PY - 2015/7/20

Y1 - 2015/7/20

N2 - The long sought-after, intrinsically short-lived molecule ethylenedione (OCCO) was observed and investigated by anion photoelectron spectroscopy. The adiabatic electron affinity of its quasi-bound 3Σg- state is 1.936(8) eV. The vibrational progression with a 417(15) cm-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the 1Δg state and the 1Σg+ state. The experimental results are in agreement with theoretical predictions and constitute the first spectroscopic observation and characterization of this elusive compound.

AB - The long sought-after, intrinsically short-lived molecule ethylenedione (OCCO) was observed and investigated by anion photoelectron spectroscopy. The adiabatic electron affinity of its quasi-bound 3Σg- state is 1.936(8) eV. The vibrational progression with a 417(15) cm-1 frequency observed within the triplet band corresponds to a trans-bending mode. Several dissociative singlet states are also observed, corresponding to two components of the 1Δg state and the 1Σg+ state. The experimental results are in agreement with theoretical predictions and constitute the first spectroscopic observation and characterization of this elusive compound.

KW - anions

KW - diradicals

KW - electronic structure

KW - photoelectron spectroscopy

KW - transient molecules

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DO - 10.1002/anie.201503423

M3 - Article

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JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 30

ER -

Spectroscopy of Ethylenedione

Abstract

Keywords

ASJC Scopus subject areas

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