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

Angela Buonaugurio, Jacob Graham, Allyson Buytendyk, Kit H. Bowen, Matthew R. Ryder, Zibo G. Keolopile, MacIej Haranczyk, MacIej Gutowski

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

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.

Original languageEnglish
Article number221103
JournalJournal of Chemical Physics
Volume140
Issue number22
DOIs
StatePublished - Jun 14 2014
Externally publishedYes

Funding

FundersFunder number
National Science FoundationCHE-1360692

    Fingerprint

    Dive into the research topics of 'Communication: Remarkable electrophilicity of the oxalic acid monomer: An anion photoelectron spectroscopy and theoretical study'. Together they form a unique fingerprint.

    Cite this