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1.
Phys Chem Chem Phys ; 9(13): 1579-86, 2007 Apr 07.
Artigo em Inglês | MEDLINE | ID: mdl-17429551

RESUMO

Pure rotational transitions of silicon monosulfide ((28)Si(32)S) and its rare isotopic species have been observed in their ground as well as vibrationally excited states by employing Fourier transform microwave (FTMW) spectroscopy of a supersonic molecular beam at centimetre wavelengths (13-37 GHz) and by using long-path absorption spectroscopy at millimetre and submillimetre wavelengths (127-925 GHz). The latter measurements include 91 transition frequencies for (28)Si(32)S, (28)Si(33)S, (28)Si(34)S, (29)Si(32)S and (30)Si(32)S in upsilon = 0, as well as 5 lines for (28)Si(32)S in upsilon = 1, with rotational quantum numbers J''< or = 52. The centimetre-wave measurements include more than 300 newly recorded lines. Together with previous data they result in almost 600 transitions (J'' = 0 and 1) from all twelve possible isotopic species, including (29)Si(36)S and (30)Si(36)S, which have fractional abundances of about 7 x 10(-6) and 4.5 x 10(-6), respectively. Rotational transitions were observed from upsilon = 0 for the least abundant isotopic species to as high as upsilon = 51 for the main species. Owing to the high spectral resolution of the FTMW spectrometer, hyperfine structure from the nuclear electric quadrupole moment of (33)S was resolved for species containing this isotope, as was much smaller nuclear spin-rotation splitting for isotopic species involving (29)Si. By combining the measurements here with previously published microwave and infrared data in one global fit, an improved set of spectroscopic parameters for SiS has been derived which include several terms describing the breakdown of the Born-Oppenheimer approximation. With this parameter set, highly accurate rotational frequencies for this important astronomical molecule can now be predicted well into the terahertz region.

2.
J Mol Spectrosc ; 202(1): 155-162, 2000 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-10860779

RESUMO

The rotational spectrum of the linear chain molecule tricarbon oxide sulfide, OCCCS, was recorded at room temperature between 118 and 179 GHz using a new commercial millimeter-wave spectrometer. The observed transitions were analyzed together with hitherto unassigned transitions from measurements between 78 and 118 GHz. About 1900 rotational transitions of OCCCS in the vibrational ground state and in 13 excited bending states could be assigned, the latter including the eighth, ninth, and tenth excited state of the low-lying bending mode nu(7) as well as the second excited state of the bending mode nu(6). Besides the determination of effective constants for these newly identified vibrational states, our data also served to considerably improve the effective constants for some of the bending states already characterized in previous publications. Copyright 2000 Academic Press.

3.
J Mol Spectrosc ; 188(1): 94-101, 1998 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-9480806

RESUMO

The ground state rotational spectrum of CD3OH has been revisited in the millimeter-wave range. A total of 216 transition frequencies have been measured and assigned in the 117-179 GHz spectral range, including about 40 transitions previously reported. The spectrum was recorded at the Justus-Liebig University in Giessen, Germany using a frequency modulated millimeter-wave spectrometer. The assignments for the CD3OH transitions were predicted based on energy levels calculated using preliminary results of the global fit of microwave, millimeter-wave, and far-infrared data of Walsh et al. (Paper FC04 presented at the 52nd International Symposium of Molecular Spectroscopy, Columbus, OH, 1997). The new measurements have substantially enlarged the accurate millimeter-wave component of the data set available for the global fit and have allowed Walsh et al. to obtain significant improvement in the CD3OH molecular parameters (J. Mol. Spectrosc. 188, 85-93, 1998). The low residuals between observed and calculated frequencies highlight the quality of the global fit results. Copyright 1998 Academic Press.

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