High-Resolution Spectroscopy and Preliminary Analysis of the ν1/ν8 Dyad of SF535Cl

Abstract The Fourier transform infrared spectrum of monoisotopic SF 5 35 Cl has been recorded in the 650- to 960-cm −1 region at a temperature of 203 K, a pressure of 0.2 mbar, and an instrumental bandwidth of 0.002 cm −1 . The ν 1 /ν 8 dyad near 900 cm −1 has been analyzed with an effective Hamiltonian developed up to the fourth order and the help of a recently developed set of programs called C 4 v TDS ( C 4 v Top Data System, http://www.u-bourgogne.fr/LPUB/C4VTDS.html ); 1346 transitions for ν 1 , 351 transitions for ν 8 , and 406 ground state combination differences have been assigned and fitted. A global fit has been obtained with an rms of 0.00082 cm −1 for the ν 1 ( a 1 ) band, of 0.…

Abstracts of the 6th FECS Conference 1998 Lectures.

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High-resolution Raman spectroscopy of the ν1 region and Raman-Raman double resonance spectroscopy of the 2ν1-ν 1 band of 32SF6 and 34SF 6. Determination of the equilibrium bond length of sulfur hexafluoride

The ν1 region of 32SF6 and 34SF6 has been studied by stimulated Raman spectroscopy. For both isotopomers, a detailed analysis has been performed. Several hot bands (ν1+ν6-ν6, ν1+2ν 6-2ν6, ν1+ν5-ν 5) have been taken into account to calculate synthetic spectra that satisfactorily reproduce the experimental data. These results, together with the previous studies of the other fundamental bands have allowed us to determine the equilibrium bond length of sulfur hexafluoride as r e=1.5560(1) Å, in very good agreement with recent ab initio calculations. The 2ν1-ν1 band has also been studied for both isotopomers by Raman-Raman double resonance spectroscopy and the resulting spectra have been analyze…

High-resolution stimulated Raman spectroscopy and analysis of the nu2, nu5 and 2 nu6 bands of 34SF6

9 p.Special Issue: Nineteenth Colloquium on High Resolution Molecular Spectroscopy, Salamanca 11–16 September 2005

Low-pressure pyrolysis of tBu2SO: synthesis and IR spectroscopic detection of HSOH.

Sulfenic acid (HSOH, 1) has been synthesized in the gas-phase by low-pressure high-temperature (1150 degrees C) pyrolysis of di-tert-butyl sulfoxide (tBu(2)SO, 2) and characterized by means of matrix isolation and gas-phase IR spectroscopy. High-level coupled-cluster (CC) calculations (CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ) support the first identification of the gas-phase IR spectrum of 1 and enable its spectral characterization. Five of the six vibrational fundamentals of matrix-isolated 1 have been assigned, and its rotational-resolved gas-phase IR spectrum provides additional information on the O-H and S-H stretching fundamentals. Investigations of the pyrolysis reaction by mass spectrome…

Breakdown of the Reduction of the Rovibrational Hamiltonian: The Case of S18O2F2

Abstract The ground state rotational spectrum of the near-spherical top molecule S18O2F2 (sulfuryl fluoride) has been measured from 50 to 700 GHz. As for the parent isotopologue, S16O2F2 [K. Sarka, J. Demaison, L. Margules, I. Merke, N. Heineking, H. Burger, H. Ruland, J. Mol. Spectrosc. 200 (2000) 55–64], it was necessary to use a non-reduced Hamiltonian in order to obtain a satisfactory fit. It was possible to determine six quartic centrifugal distortion constants (instead of five for a standard asymmetric top) and five sextic constants (one of them not existing in the reduced Hamiltonian) could also be determined. This ground state level has also been analysed thanks to a tensorial forma…

High-Resolution Infrared and Raman Spectroscopy of SF6 : The State-of-the-Art in June 2006