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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Abstract
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
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Status: |
Published |
Creators/Authors: |
Creators | Email | Pitt Username | ORCID ![](/images/orcid_id_24x24.png) |
---|
Gerardi, HK | | | | Deblase, AF | | | | Leavitt, CM | | | | Su, X | | | | Jordan, KD | jordan@pitt.edu | JORDAN | | McCoy, AB | | | | Johnson, MA | | | |
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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: |
12 Jun 2021 22:55 |
URI: |
http://d-scholarship-dev.library.pitt.edu/id/eprint/16177 |
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