TITLE

The argon–diacetylene complex: An example of distributed interactions and transferable potentials

AUTHOR(S)
Bemish, R. J.; Miller, R. E.; Yang, X.; Scoles, G.
PUB. DATE
December 1996
SOURCE
Journal of Chemical Physics;12/15/1996, Vol. 105 Issue 23, p10171
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The first spectroscopic study of the argon–diacetylene complex is reported here. The rotationally resolved near infrared spectrum has been analyzed in terms of a conventional asymmetric rotor Hamiltonian, yielding a set of ground and vibrationally excited state rotational constants consistent with a ‘‘T-shaped’’ geometry, similar to that of Ar–C2H2. Using distributed potential parameters determined previously for the Ar–C2H2 system we have developed an empirical potential for Ar–C4H2. A ground state calculation using this potential and the collocation method gives a vibrationally averaged structure in good agreement with experiment. A tentative assignment is also made for the band origins of the Ar2, Ar3–diacetylene complexes. © 1996 American Institute of Physics.
ACCESSION #
7629864

 

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