Communication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study

Please use this identifier to cite or link to this item: http://hdl.handle.net/10311/1927

Title:	Communication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study
Authors:	Buonaugurio, Angela Graham, Jacob Buytendyk, Allyson Bowen, Kit H. Ryder, Matthew R. Keolopile, Zibo G. Haranczyk, Maciej Gutowski, Maciej
Keywords:	Oxalic acid monomer electrophilicity
Issue Date:	14-Jun-2014
Publisher:	AIP Publishing LLC., https://aip.scitation.org/journal/jcp
Citation:	Buonaugurio, A. et al. (2014) Communication: remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study. Journal of Chemical Physics, Vol. 140, No. 22, pp. 221103-1-221103-5
Abstract:	Our experimental and computational results demonstrate an unusual electrophilicity of oxalic acid, the simplest dicarboxylic acid. The monomer is characterized by an adiabatic electron affinity and electron vertical detachment energy of 0.72 and 1.08 eV (±0.05 eV), respectively. The electrophilicity results primarily from the bonding carbon-carbon interaction in the singly occupied molecular orbital of the anion, but it is further enhanced by intramolecular hydrogen bonds. The well-resolved structure in the photoelectron spectrum is reproduced theoretically, based on Franck-Condon factors for the vibronic anion → neutral transitions.
URI:	http://hdl.handle.net/10311/1927
ISSN:	0021-9606 (Print) 1089-7690 (Online)
Appears in Collections:	Research articles (Dept of Physics)

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