Hyperfine Interaction Constants of the HCCS and DCCS Radicals Studied by Fourier Transform Millimeter-Wave Spectroscopy

Abstract The rotational spectral lines of HCCS and DCCS have been observed with a Fourier transform millimeter-wave spectrometer in combination with a pulsed discharge nozzle. The HCCS radical is produced by discharging a mixture of C2H2 and CS2 diluted in Ar. The DCCS radical is produced by using C2D2 instead of C2H2. The spectral lines of HCCS and DCCS in both the 2Π3/2 and 2Π1/2 states are measured in the frequency range from 16 to 48 GHz, and the molecular constants are determined accurately from a joint least-squares analysis with the reported millimeter- and submillimeter-wave data. The hyperfine interaction constants of the hydrogen and deuterium nuclei are determined for the first time, and are discussed in relation to the Renner–Teller effect on this molecule.

[1]  S. Yamamoto,et al.  Fourier transform millimeter-wave spectroscopy of chlorocarbene (HCCl) , 2001 .

[2]  S. Peyerimhoff,et al.  Ab initio study of the vibronic spectrum in the X 2Π electronic state of HCCS , 2001 .

[3]  S. Yamamoto,et al.  Microwave spectrum and molecular structure of the HSC radical , 2000 .

[4]  M. Head‐Gordon,et al.  Fourier transform millimeter-wave spectroscopy of the HCS radical in the 2A′ ground electronic state , 1998 .

[5]  S. Iwata,et al.  Potential energy surfaces of the ground and low-lying states of HCCS and NCS: CASSCF, MRCI and CCSD(T) studies , 1997 .

[6]  P. Szalay,et al.  Theoretical prediction of the spin-orbit splitting in the NCO, NCS, HCCO and HCCS radicals , 1997 .

[7]  S. Saito,et al.  Microwave spectroscopy of the HCCS and DCCS radicals (X̃ 2Πi) in excited vibronic states: A study of the Renner–Teller effect , 1996 .

[8]  P. Szalay,et al.  Structure and spectra of the thioketenyl (HCCS) radical in its ground and first excited states obtained by ab initio coupled‐cluster methods , 1996 .

[9]  H. Kohguchi,et al.  Laser-induced fluorescence spectra and the observation of quantum beats in the Ã2Πi−X̃2Πi transition of the HCCS radical , 1996 .

[10]  Y. Hirahara,et al.  Pulsed‐discharge‐nozzle Fourier‐transform microwave spectroscopy of HC3S(2Πr) and HC4S(2Πi) , 1994 .

[11]  Masatoshi Ohishi,et al.  A survey of CCS, HC3N, HC5N, and NH3 toward dark cloud cores and their production chemistry , 1992 .

[12]  Y. Ohshima,et al.  Structure of C3S studied by pulsed-discharge-nozzle Fourier-transform microwave spectroscopy , 1992 .

[13]  A. Cooksy,et al.  The millimeter-wave spectra of the HCCCO and DCCCO radicals , 1992 .

[14]  P. Ho,et al.  Atoms, ions and molecules : new results in spectral line astrophysics , 1991 .

[15]  N. Kaifu,et al.  Laboratory microwave spectroscopy of the linear C3H and C3D radicals and related astronomical observation , 1990 .

[16]  Y. Endo,et al.  The submillimeter‐wave spectrum of the HCCO radical , 1987 .

[17]  M. Bogey,et al.  Λ doubling spectrum of the CH free radical in a rf glow discharge , 1983 .

[18]  Jennifer M. Brown,et al.  A determination of fundamental Zeeman parameters for the OH radical , 1978 .

[19]  W. Meerts,et al.  A Molecular Beam Electric Resonance Study of the Hyperfine Λ Doubling Spectrum of OH, OD, SH, and SD , 1975 .

[20]  S. Wofsy,et al.  Hyperfine Structure and Dipole Moment of CH3D , 1970 .