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Journal of Chemical Physics, Vol.105, No.23, 10171-10177, 1996
The Argon-Diacetylene Complex - An Example of Distributed Interactions and Transferable Potentials
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 Ar-2, Ar-3-diacetylene complexes.
Keywords:HIGH-RESOLUTION SPECTROSCOPY;HYDROGEN-FLUORIDE DIMER;INTERMOLECULAR FORCES;VIBRATIONAL PREDISSOCIATION;AR-HCL;STATE;MOLECULE;SPECTRUM;AR-C2H2