Abstract
In the early days of quantum chemistry research, major emphasis was placed on method development and calculations were performed on physical systems more to evaluate calculational methods than to gain new insight into these systems. The field has now matured to the point where present-day methods are capable of providing reliable information for systems of experimental interest, including those where large numbers of excited states are involved. Predicting the cross sections and products of photodissociation requires knowledge of large numbers of excited state potential curves or surfaces, particularly repulsive potential curves that are not easily studied spectroscopically. Also, theoretical study of collisions between excited species requires information about excited state potential curves. Calculations of excited state potential curves discussed in this paper support the assertion that current quantum chemistry techniques are now providing physical insight for systems of interest.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
P. Krupenie, The spectrum of molecular oxygen, J. Phys. Chem. Ref. Data 1: 423 (1972).
H. F. Schaefer III and F. E. Harris, Ab initio calculations on 62 low-lying states of the O2 molecule, J. Chem. Phys. 48: 4946 (1968).
N.H.F. Beebe, E. W. Thulstrup and A. Andersen, Configuration interaction calculations of low-lying electronic states of O2, O2 + and O2 2+, J. Chem. Phys. 64: 2080 (1976).
H. F. Schaefer III and W. H. Miller, Curve crossing of the B3∑u - and 3Πu states of O2 and its relation to predissociation in the Schumann-Runge Bands, J. Chem. Phys. 55: 4107 (1971).
B. J. Moss and W. A. Goddard III, Configuration interaction studies of low-lying states of O2, J. Chem. Phys. 63: 3523 (1976).
R. P. Saxon and B. Liu, Ab Initio configuration interaction study of the valence states of O2, J. Chem. Phys. 67: 5432 (1977).
J. R. Murray and C. K. Rhodes, The possibility of high-energy-storage lasers using the auroral and transauroral transitions of column-VI elements, J. Appl. Phys. 47: 5041 (1976).
R. P. Saxon and B. Liu, Ab Initio configuration interaction study of the Rydberg states of O2. I. A general computational procedure for diabatic Molecular Rydberg states and test calculations on the 3Πg states of O2, J. Chem. Phys. 73: 870 (1980). 8
R. P. Saxon and B. Liu, Ab Initio configuration interaction study of the Rydberg states of O2. II. Calculations on the 3∑g -, 3∑u -, 3Πg, 1Πg and 1∑g + symmetries, J. Chem. Phys. 73: 8760 (1980).
W. C. Swope, Y.-P. Lee, and H. F. Schaefer III, Diatomic sulfur: low-lying bound molecular electronic states of S2, J. Chem. Phys. 70: 947 (1979).
R. P. Saxon and B. Liu, Ab Initio calculations on the 3∑g -, 1∑g + 3Πg and 1Πg symmetries of S2: valence, ion pair, and Rydberg states, J. Chem. Phys. 73: 5174 (1980).
R. P. Saxon, K. Kirby and B. Liu, Excited states of CH+: Potential curves and transition moments, J. Chem. Phys. 73: 1873 (1980).
K. Kirby, W. G. Roberge, R. P. Saxon, and B. Liu, Photodissociation cross sections and rates for CH+ in interstellar clouds, The Astrophysics J. 239:855 (1980.)
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1983 Plenum Press, New York
About this paper
Cite this paper
Saxon, R.P. (1983). Excited States of Small Molecules — Collisional Quenching and Photodissociation. In: Hinze, J. (eds) Energy Storage and Redistribution in Molecules. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3667-9_10
Download citation
DOI: https://doi.org/10.1007/978-1-4613-3667-9_10
Publisher Name: Springer, Boston, MA
Print ISBN: 978-1-4613-3669-3
Online ISBN: 978-1-4613-3667-9
eBook Packages: Springer Book Archive