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dc.contributor.authorBuonaugurio, Angela
dc.contributor.authorGraham, Jacob
dc.contributor.authorBuytendyk, Allyson
dc.contributor.authorBowen, Kit H.
dc.contributor.authorRyder, Matthew R.
dc.contributor.authorKeolopile, Zibo G.
dc.contributor.authorHaranczyk, Maciej
dc.contributor.authorGutowski, Maciej
dc.date.accessioned2019-05-08T12:38:47Z
dc.date.available2019-05-08T12:38:47Z
dc.date.issued2014-06-14
dc.identifier.citationBuonaugurio, 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. 221103-1-221103-5en_US
dc.identifier.issn0021-9606 (Print)
dc.identifier.issn1089-7690 (Online)
dc.identifier.urihttp://hdl.handle.net/10311/1927
dc.description.abstractOur 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.en_US
dc.language.isoenen_US
dc.publisherAIP Publishing LLC., https://aip.scitation.org/journal/jcpen_US
dc.subjectOxalic acid monomeren_US
dc.subjectelectrophilicityen_US
dc.titleCommunication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical studyen_US
dc.typePublished Articleen_US
dc.linkhttps://aip.scitation.org/doi/pdf/10.1063/1.4882655?class=pdfen_US


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