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Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH) <inf>2</inf><sup>-</sup>, with vibrational and photoelectron spectroscopies

Gerardi, HK and Deblase, AF and Leavitt, CM and Su, X and Jordan, KD and McCoy, AB and Johnson, MA (2012) Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH) <inf>2</inf><sup>-</sup>, with vibrational and photoelectron spectroscopies. Journal of Chemical Physics, 136 (13). ISSN 0021-9606

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The (HCOOH) 2 anion, formed by electron attachment to the formic acid dimer (FA 2), is an archetypal system for exploring the mechanics of the electron-induced proton transfer motif that is purported to occur when neutral nucleic acid base-pairs accommodate an excess electron K. Aflatooni, G. A. Gallup, and P. D. Burrow, J. Phys. Chem. A 102, 6205 (1998)10.1021/jp980865n; J. H. Hendricks, S. A. Lyapustina, H. L. de Clercq, J. T. Snodgrass, and K. H. Bowen, J. Chem Phys. 104, 7788 (1996)10.1063/1.471484; C. Desfrancois, H. Abdoul-Carime, and J. P. Schermann, J. Chem Phys. 104, 7792 (1996). The FA 2 anion and several of its HD isotopologues were isolated in the gas phase and characterized using Ar-tagged vibrational predissociation and electron autodetachment spectroscopies. The photoelectron spectrum of the FA 2 anion was also recorded using velocity-map imaging. The resulting spectroscopic information verifies the equilibrium FA 2- geometry predicted by theory which features a symmetrical, double H-bonded bridge effectively linking together constituents that most closely resemble the formate ion and a dihydroxymethyl radical. The spectroscopic signatures of this ion were analyzed with the aid of calculated anharmonic vibrational band patterns. © 2012 American Institute of Physics.


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Item Type: Article
Status: Published
CreatorsEmailPitt UsernameORCID
Gerardi, HK
Deblase, AF
Leavitt, CM
Su, X
Jordan, KDjordan@pitt.eduJORDAN
McCoy, AB
Johnson, MA
Date: 7 April 2012
Date Type: Publication
Journal or Publication Title: Journal of Chemical Physics
Volume: 136
Number: 13
DOI or Unique Handle: 10.1063/1.3693271
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Refereed: Yes
ISSN: 0021-9606
MeSH Headings: Dimerization; Electrons; Formic Acids--chemistry; Hydrogen Bonding; Models, Molecular; Molecular Conformation; Photoelectron Spectroscopy; Protons; Vibration
PubMed ID: 22482563
Date Deposited: 12 Nov 2012 15:04
Last Modified: 22 Jun 2021 12:55


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