The vibrationally averaged, temperature-dependent structure of polyatomic molecules. I. CO2
- 1 July 1983
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 79 (1) , 170-174
- https://doi.org/10.1063/1.445551
Abstract
A new high‐temperature nozzle has been added to our counting electron diffraction apparatus, enabling precise studies of the vibrationally averaged structure of molecules at temperatures between 300 and 1000 K. Our results for CO2 are compared with the harmonic theory and the recent variational wave function calculation of Kohl and Hilderbrandt. The new nozzle system is described, and differences between the data and the theories are discussed.Keywords
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