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Rydberg states of diatomic and polyatomic molecules using model potentials


Betts, Timothy Charles (1972) Rydberg states of diatomic and polyatomic molecules using model potentials. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/JP17-7677.


A simple model potential is used to calculate Rydberg series for the molecules: nitrogen, oxygen, nitric oxide, carbon monoxide, carbon dioxide, nitrogen dioxide, nitrous oxide, acetylene, formaldehyde, formic acid, diazomethane, ketene, ethylene, allene, acetaldehyde, propyne, acrolein, dimethyl ether, 1, 3-butadiene, 2-butene, and benzene. The model potential for a molecule is taken as the sum of atomic potentials, which are calibrated to atomic data and contain no further parameters. Our results agree with experimentally measured values to within 5-10% in all cases. The results of these calculations are applied to many unresolved problems connected with the above molecules. Some of the more notable of these problems are the reassignment of states in carbon monoxide, the first ionization potential of nitrogen dioxide, the interpretation of the V state in ethylene, and the mystery bands in substituted ethylenes, the identification of the R and R’ series in benzene and the determination of the orbital scheme in benzene from electron impact data.

Item Type:Thesis (Dissertation (Ph.D.))
Subject Keywords:Chemistry
Degree Grantor:California Institute of Technology
Division:Chemistry and Chemical Engineering
Major Option:Chemistry
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • McKoy, Basil Vincent
Thesis Committee:
  • Unknown, Unknown
Defense Date:16 December 1971
Record Number:CaltechTHESIS:04012016-131612760
Persistent URL:
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9641
Deposited On:01 Apr 2016 22:19
Last Modified:09 Nov 2022 19:20

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