ABSTRACT
The rotational spectra of the unstable HCCCP molecule have been investigated in the millimeter-wave region for the main excited vibrational states which lie below 1000 cm(-1), namely nu(4) (C&bond;C stretch), nu(5) (HCC bend), nu(6) (CCC bend), nu(7) (CCP bend), 2nu(6), 2nu(7), 3nu(7), 4nu(7), nu(5) + nu(7), and nu(6) + nu(7). l-type resonance effects have been taken into account in the analysis of the spectra, so that the values of the anharmonicity constants x(L(66)), x(L(77)), x(L(57)), and x(L(67)) could be determined. The anharmonic interactions which couple the nu(4) state with nu(6) + nu(7), 2nu(6), and 4nu(7) have been also considered, yielding the unperturbed value of the alpha(4) vibration-rotation coupling constant. Copyright 2001 Academic Press.
ABSTRACT
The nuclear quadrupole hyperfine structure in rotational transitions of cis-1-chloro-2-fluoroethylene was measured for both (35)Cl and (37)Cl containing isotopomers in the millimeter-wave region. Near degeneracies of the 9(3,7) and 10(2,9) levels of (35)ClHC&dbond;CFH and of the 19(9,10/11) and 17(10,7/8) levels of (37)ClHC&dbond;CFH cause strong perturbations of the hyperfine patterns and give rise to perturbation-allowed DeltaJ = 2 and DeltaJ = 3 transitions. Lamb-dip measurements of such perturbed hyperfine patterns and of forbidden DeltaJ = +2 and perturbation-enhanced DeltaJ = 0 transitions of (35)ClHC&dbond;CFH provided an accurate determination of chi(ab), the off-diagonal element of the inertial nuclear quadrupole tensor. For (37)ClHC&dbond;CFH, chi(ab) was determined for the first time thanks to the observation of perturbed hyperfine patterns and of forbidden DeltaJ = +3 and DeltaJ = -2 transitions. Additional measurements of hyperfine structures led to improved values for the diagonal elements of the chi tensor of both (35)Cl and (37)Cl. Moreover, the complete inertial nuclear quadrupole tensor was evaluated from the field gradient at the chlorine nucleus computed by using the Multi-Configuration Self-Consistent Field (MCSCF) approach and employing basis sets of triple-zeta quality: very good agreement with the experiment was obtained. Copyright 2000 Academic Press.
ABSTRACT
The ground state rotational spectrum of fluoroacetylene was measured in the millimeter-wave and FIR regions up to 1280 GHz and J = 65. Very accurate values of the rotational and centrifugal distortion constants were determined and in particular a more reliable value of H0 = 2.0 10(-4) Hz has been obtained compared to that previously determined of -0.30 Hz. HCCF was prepared in a dc glow discharge in presence of 1,3,5-trifluorobenzene. Copyright 1998 Academic Press.
