The Millimeter-Wave Rotational Spectrum of Trichloroacetonitrile: A Study of h3 Splitting in a Near-Spherical Molecule

✍ Scribed by G. Cazzoli; Z. Kisiel

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 356 KB
• Volume: 159
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1993.1107

✦ Synopsis

The ground state rotational spectrum of trichloroacetonitrile. (\mathrm{Cl}{3} \mathrm{CCN}), was measured up to (376 \mathrm{GHz}) and (J=112). A splitting of the (K=3) transitions was observed at high (J) and allowed the determination of the sextic "splitting" constant (h{3}), in addition to the usual symmetric top spectroscopic constants. It was found that the near-spherical nature of (\mathrm{Cl}{3} \mathrm{CCN}) causes the (h{3}) term to have a perceptible effect also on other low- (K) transitions. This was accounted for by diagonalization of Watson's fully reduced symmetric top Hamiltonian and, in the process, it became possible to determine also the rotational constant (A) from the measured (\Delta J=1, \Delta K=0) transitions. c) 1993 Academic Press. Inc.