Files in this item

FilesDescriptionFormat

application/pdf

application/pdf2383.pdf (15kB)
(no description provided)PDF

Description

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:2017-07-27


This item appears in the following Collection(s)

Item Statistics