Simultaneous analysis of the ν2 Raman and ν2+ν6 infrared spectra of the SF6 molecule

High-resolution Raman spectra of the v(2), band of SF, have been recorded at a temperature of 195 K (dry ice) and a pressure of 39 mbar. These spectra were analyzed using a new set of programs specially written for XY, molecules. These programs, called HTDS (highly spherical top data system) in reference to the set of programs called STDS (spherical top data system written for XY, molecules) can be freely accessible through ftp (user anonymous) at jupiter.u-bourgogne.fr or on the web at the URL http://www.u-bourgogne.fr/LPUB/shTDS.html The study of v(2), was made using a Hamiltonian developed through the third order. Four parameters were determined. The standard deviation obtained using about 559 data up to J < 61 is 0.0021 cm(-1). This result is used to refine by simultaneous analysis the v(2) and v(2) + v(6) bands of SF6. This new fit allows the determination for the first time of some v(6) parameters. The values obtained for this band (forbidden in Raman and in infrared) will be used to study the infrared hot bands in the v(3) and v(4) regions. (C) 2000 Academic Press.