Rotational Spectrum of CD2I2
The rotational spectrum of CD2I2 was measured and analyzed by combining results from two different millimeter wave spectrometers. Low-J transitions were measured with a free jet spectrometer at conditions of completely resolved hyperfine structure over the frequency range 59-69 GHz. High-J rotational transitions were measured at room temperature at frequencies 167-338 GHz and for J" up to 190". Spectroscopic constants in the sextic rotational Hamiltonian of CD2I2 have been determined, and the analysis of the observed hyperfine structure yielded all components in the inertial and in the principal nuclear quadrupole coupling tensors for the iodine nuclei. The rotational constants for CD2I2 and those for CH2I2 from Z. Kisiel, L. Pszczólkowski, W. Caminati, and P. G. Favero (1996. J. Chem. Phys. 105, 1778-1785) have been used to evaluate a full r0 structure and have been combined with the results of ab initio calculations to also evaluate the average r* structure: r(CI) = 2.1364 Å, r(CH) = 1.078 Å, <(ICI) = 113.83 degrees, and <(HCH) = 113.3 degrees. The current results complete the first analysis of a rotational spectrum of a molecule containing two iodine nuclei. Copyright 1998 Academic Press.
Kisiel
Z
Institute of Physics, Polish Academy of Sciences, Al.Lotników 32/46, Warsaw, 02-668, Poland;
Pszczólkowski
L
Favero
LB
Caminati
W