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 Title: CHARGE OSCILLATION IN C−O STRETCHING VIBRATIONS: A COMPARISON OF CO2− ANION AND CARBOXYLATE FUNCTIONAL GROUPS Author(s): Weber, J. Mathias Contributor(s): Thompson, Michael C Subject(s): Ions Abstract: We compare the intensity ratio of symmetric to antisymmetric C$-$O stretching vibrational transitions in CO$_2^-$ and MCOO$^-$ (M = H, Ag and Bi) using photodissociation spectroscopy. This ratio depends strongly on the bonding partner M, caused by a dynamic change in the molecular charge distribution during vibrational motion. Density functional theory calculations indicate that such charge oscillations can occur for both the symmetric and antisymmetric C$-$O stretching vibrations in these systems. In the symmetric C$-$O stretching modes, however, they are at play only if a bonding partner is present, which acts as a reservoir for charge during CO bond compression in the symmetric stretching vibration. Issue Date: 6/23/2017 Publisher: International Symposium on Molecular Spectroscopy Citation Info: APS Genre: CONFERENCE PAPER/PRESENTATION Type: Text Language: English URI: http://hdl.handle.net/2142/96799 DOI: 10.15278/isms.2017.FE01 Date Available in IDEALS: 2017-07-272018-01-29
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