THE ARGON-DIACETYLENE COMPLEX - AN EXAMPLE OF DISTRIBUTED INTERACTIONS AND TRANSFERABLE POTENTIALS

The first spectroscopic study of the argon-diacetylene complex is repo rted here. The rotationally resolved near infrared spectrum has been a nalyzed in terms of a conventional asymmetric rotor Hamiltonian, yield ing a set of ground and vibrationally excited state rotational constan ts 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 me thod gives a vibrationally averaged structure in good agreement with e xperiment. A tentative assignment is also made for the band origins of the Ar-2, Ar-3-diacetylene complexes. (C) 1996 American Institute of Physics.