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High-resolution Infrared Diode Laser Spectroscopy of (CO20)3 : Vibrationally averaged structures, resonant dipole vibrational shifs, and tests of CO2-CO2 pair potentials

Published

Author(s)

M J. Weida, J M. Sperhac, David Nesbitt

Abstract

High-resolution infrared spectra of (CO2)3 formed in a split jet supersonic expansion are obtained via direct absoption of a tunable diode laser in the V3 asymmetric stretch region of CO2. Over 100 distinct transions are recorded in the trimer spectrum, which can be modeled as a perpendicular band of a planar symmetric top with C3b symmetry and no observable tunneling splittings. Results from the spectroscopic fit indicate that the complex is vibrationally averaged planar, with a carbon-carbon atom separation of Rcc=4.0376(2) A. An anysis of the vibrational blue shift for (CO2)3 of 2.5755(2) cm-1 via a resonant dipole-dipole interaction model of the equilateral triangle connecting the center of mass of each CO2 monomer. Several model CO2-CO2 interaction potentials are tested monomers within the trimer. Lastly, spectral evidence and model preidctions suggest that there is an asymmetric top isomer of the trimer that is energetically comparable to the observed cyclic isomer.
Citation
Journal of Chemical Physics
Volume
103
Issue
No. 18

Keywords

(CO<sub>2</sub>)<sub>3</sub>, CO<sub>2</sub> trimer, complexes, diode laser, high resolution, supersonic, van der Waals

Citation

Weida, M. , Sperhac, J. and Nesbitt, D. (1995), High-resolution Infrared Diode Laser Spectroscopy of (CO<sub>2</sub>0)<sub>3</sub> : Vibrationally averaged structures, resonant dipole vibrational shifs, and tests of CO<sub>2</sub>-CO<sub>2</sub> pair potentials, Journal of Chemical Physics (Accessed April 23, 2024)
Created June 30, 1995, Updated October 12, 2021