Jet-cooled diode laser spectra of CF3Br in the 9.2 microm region and rovibrational analysis of symmetric CF3 stretching mode

Phys Chem Chem Phys. 2006 Jun 7;8(21):2491-8. doi: 10.1039/b601852a. Epub 2006 Apr 20.

Abstract

Pulsed slit-jet high resolution (up to 0.0009 cm(-1) FWHM) infrared diode laser spectra of CF(3)Br, with natural isotopic abundance, were obtained in the region around 9.2 microm at the rotational temperature of about 50 K. In addition, diode laser spectra at reduced temperature (200 K) were recorded. We present here the rovibrational analysis of the nu(1) fundamental in the range 1075-1090 cm(-1). The fine structure of many P(J) and R(J) clusters has been well resolved for the first time. The assignment of rovibrational transitions has been accomplished up to K = 27, J = 63 for CFBr and K = 33, J = 62 for CFBr. A total of 636 (CFBr) and 880 (CFBr) lines were used in the final fit and a very accurate set of molecular constants, including the quartic centrifugal distortion coefficients for the v(1) = 1 state of both the bromine isotopologues, was obtained. In addition, spectral features belonging to the nu(1) + nu(6)-nu(6) hot band were unambiguously identified and a set of spectroscopic parameters were determined.