Journal of Physical Chemistry A, Vol.118, No.13, 2480-2487, 2014
IR Band Profiling of Dichlorodifluoromethane in the Greenhouse Window: High-Resolution FTIR Spectroscopy of nu(2) and nu(8)
The IR spectrum of dichlorodifluoromethane (i.e., R12 or Freon-12) is central to its role as a major greenhouse contributor. In this study, high-resolution (0.000 96 cm(-1)) Fourier transform infrared spectra have been measured for R12 samples either cooled to around ISO K or at ambient temperature using facilities on the infrared beamline of the Australian Synchrotron. Over 14 000 lines of (CCl2F2)-Cl-35 and (CClClF2)-Cl-35-Cl-37 were assigned to the b-type v(2) band centered around 668 cm(-1). For the c-type v(8) band at 1161 cm(-1), over 10 000 lines were assigned to the two isotopologues. Rovibrational fits resulted in upper state constants for all these band systems. Localized avoided crossings in the v8 system of (CCl2F2)-Cl-35, resulting from both a direct b-axis Coriolis interaction with v(3) + v(4) + v(7) and an indirect interaction with v(3) + v(4) + v(9), were treated. An improved set of ground state constants for (CClClF2)-Cl-35-Cl-37 was obtained by a combined fit of IR ground state combination differences and previously published millimeter wave lines. Together these new sets of constants allow for accurate prediction of these bands and direct comparison with satellite data to enable accurate quantification.