Intermolecular potential between an atom and a diatomic molecule: The structure of ArCIF

The radio-frequency and microwave spectrum of Ar35ClF has been measured by molecular beam electric resonance spectroscopy. The molecular constants are: Ar35ClF¯Ar37ClF¯B1327.113(5)MHz1319.650(5)MHzDJ4.66(20)kHz4.72(20)kHzμa1.053(3)DeqQa−140.869(15)MHz−111.053(15)MHzThe atomic arrangement is Ar–Cl–F...

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Bibliographic Details
Published in:The Journal of chemical physics 1974-07, Vol.61 (1), p.193-197
Main Authors: Harris, Stephen J., Novick, Stewart E., Klemperer, William, Falconer, Warren E.
Format: Article
Language:English
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Summary:The radio-frequency and microwave spectrum of Ar35ClF has been measured by molecular beam electric resonance spectroscopy. The molecular constants are: Ar35ClF¯Ar37ClF¯B1327.113(5)MHz1319.650(5)MHzDJ4.66(20)kHz4.72(20)kHzμa1.053(3)DeqQa−140.869(15)MHz−111.053(15)MHzThe atomic arrangement is Ar–Cl–F and the vibrationally averaged argon-chlorine distances are 3.3301(1) and 3.3290(1) Å in Ar35ClF and Ar37ClF, respectively. The Ar–ClF bond stretching frequency is 47 cm−1. From the value of eqQa the equilibrium structure is linear with an angle bending frequency of 41 cm−1. The linear structure is striking evidence against the validity of an additive pair potential for an atom and a diatomic molecule. The observed structure is well predicted by Walsh's rule for triatomic molecules.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.1681622