Combined synchrotron-based high resolution FTIR and IR-diode laser supersonic jet spectroscopy of the chiral molecule CDBrClF

The rovibrational spectrum of Deuterobromochlorofluoromethane CDBrClF has been measured with a resolution of better than 0.001 cm(-1) at room temperature with the Zurich Bruker IFS spectrometer prototype (ZP 2001) using a globar source, and with the Bruker prototype 2009 interferometer connected to the Swiss Light Source (SLS) synchrotron as a radiation source providing a resolution of 0.0007 cm(-1) in the range 600-1100 cm(-1). In addition CDBrClF has been measured at low rotational temperature (T-rot = 15K ) with our diode laser supersonic jet setup around 748 cm(-1) in the v(5) region (resolution 0.0013 cm(-1)). The spectra of the two major isotopomers (CDBrClF)-Br-79-Cl-35 and (CDBrClF)-Br-81-Cl-35 have been analyzed within the v(5) (CCl-stretch, (v) over tilde (o) = 748.2998 cm(-1) ((CDBrClF)-Br-79-Cl-35), (v) over tilde (o) = 748.1541 cm(-1) ((CDBrClF)-Br-81-Cl-35)), v(4) (CF-stretch, (v) over tilde (o) = 1082.8116 cm(-1) ((CDBrClF)-Br-79-Cl-35), (v) over tilde (o) = 1082.7963 cm(-1) ((CDBrClF)-Br-81-Cl-35)) and v(3) (DCF-bend, (v) over tilde (o) = 918.3715 cm(-1) ((CDBrClF)-Br-79-Cl-35), (v) over tilde (o) = 918.0206 cm(-1) ((CDBrClF)-Br-81-Cl-35)) regions. A detailed rovibrational analysis of these bands is presented. A combined analysis of the v(3), v(4) and v(5) fundamental bands provides accurate rotational and quartic centrifugal distortion constants for the vibrational ground state and for the states v(3), v(4) and v(5) of (CDBrClF)-Br-79-Cl-35 and (CDBrClF)-Br-81-Cl-35. The results are discussed in relation to intramolecular (ro)vibrational redistribution (IVR) and also possible experiments pertaining to the experimental detection of molecular parity violation. (C) 2017 Elsevier Inc. All rights reserved.