TY - JOUR
T1 - Spectroscopy of Ethylenedione and Ethynediolide
T2 - A Reinvestigation
AU - Lunny, Katharine G.
AU - Benitez, Yanice
AU - Albeck, Yishai
AU - Strasser, Daniel
AU - Stanton, John F.
AU - Continetti, Robert E.
N1 - Publisher Copyright:
© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
PY - 2018/5/4
Y1 - 2018/5/4
N2 - In an effort to characterize the electronic states of ethylenedione, OCCO, photoelectron-photofragment coincidence (PPC) spectroscopy was applied to measure anions at m/z 56 and 57 using a pulsed discharge of glyoxal vapor and N2O. PPC measurements at a photon energy of 3.20 eV yield photoelectron spectra in coincidence with either neutral photofragments or stable neutral products. The measurements showed that primarily stable neutral products were formed, with photoelectron spectra consistent with the oxyallyl diradical, C3H4O, and acetone enolate radical, C3H5O. The spectra were also found to have features nearly identical to those reported for OCCO and HOCCO by Sanov and co-workers. The stability of the neutral products, as well as an examination of spectra reported for the oxyallyl anion and acetone enolate show that the previous assignments of OCCO and HOCCO are in error, and are instead attributed here to the oxyallyl diradical, C3H4O, and the acetone enolate radical, C3H5O.
AB - In an effort to characterize the electronic states of ethylenedione, OCCO, photoelectron-photofragment coincidence (PPC) spectroscopy was applied to measure anions at m/z 56 and 57 using a pulsed discharge of glyoxal vapor and N2O. PPC measurements at a photon energy of 3.20 eV yield photoelectron spectra in coincidence with either neutral photofragments or stable neutral products. The measurements showed that primarily stable neutral products were formed, with photoelectron spectra consistent with the oxyallyl diradical, C3H4O, and acetone enolate radical, C3H5O. The spectra were also found to have features nearly identical to those reported for OCCO and HOCCO by Sanov and co-workers. The stability of the neutral products, as well as an examination of spectra reported for the oxyallyl anion and acetone enolate show that the previous assignments of OCCO and HOCCO are in error, and are instead attributed here to the oxyallyl diradical, C3H4O, and the acetone enolate radical, C3H5O.
KW - anions
KW - ethylenedione
KW - oxyallyl
KW - photoelectron spectroscopy
KW - quantum chemistry
KW - radicals
UR - http://www.scopus.com/inward/record.url?scp=85044264169&partnerID=8YFLogxK
U2 - 10.1002/anie.201801848
DO - 10.1002/anie.201801848
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C2 - 29486066
AN - SCOPUS:85044264169
SN - 1433-7851
VL - 57
SP - 5394
EP - 5397
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 19
ER -