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Rotational spectrum and structure of the Ar/sub 3/--HCl symmetric top

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:6085347

The Ar/sub 3/--HCl tetramer has been identified via the observation of its microwave rotational spectrum using the pulsed nozzle Fourier transform technique. The rotational spectroscopic constants of the ground vibrational state have been obtained for the /sup 35/Cl//sup 37/Cl isotopes from measurements of the J = 1..-->..2 to J = 4..-->..5 transitions and their hyperfine structure. For Ar/sub 3/--H/sup 35/Cl, the values found for B/sub 0/, D/sub J/, D/sub J//sub K/, and chi/sub aa/ are 843.8974(1) MHz, 2.333(2) and 1.818(6) kHz, and 31.006(5) MHz, respectively, and for Ar/sub 3/--H/sup 37/Cl, 825.9811(2) MHz, 2.211(5) and 1.940(12) kHz, and 24.481(8) MHz. The cluster is a symmetric top with the HCl along the C/sub 3/ axis, its H end directed towards the Ar/sub 3/ trimer. In its torsional oscillations, the HCl makes an average angle of 36.91/sup 0/ with the symmetry axis. The chlorine isotopic substitution leads to values of 3.8510 and 4.0024 A for the Ar--Ar and Ar--Cl distances. The results of the present study are compared with those reported earlier for the Ar/sub m/--HF (m = 1,2,3) and Ar/sub m/--HCl (m = 1,2) clusters.

Research Organization:
Noyes Chemical Laboratory, University of Illinois, Urbana, Illinois 61801
OSTI ID:
6085347
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 87:8; ISSN JCPSA
Country of Publication:
United States
Language:
English