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

Abstract

The rovibrational spectrum of Deuterobromochlorofluoromethane CDBrClF has been measured with a resolution of better than 0.001cm−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 0.0007cm−1 in the range 600–1100cm−1. In addition CDBrClF has been measured at low rotational temperature (Trot=15K) with our diode laser supersonic jet setup around 748cm−1 in the ν5 region (resolution 0.0013cm−1). The spectra of the two major isotopomers CD79Br35ClF and CD81Br35ClF have been analyzed within the ν5 (CCl-stretch, ν̃0=748.2998cm−1 (CD79Br35ClF), ν̃0=748.1541cm−1 (CD81Br35ClF)), ν4 (CF-stretch, ν̃0=1082.8116cm−1 (CD79Br35ClF), ν̃0=1082.7963cm−1 (CD81Br35ClF)) and ν3 (DCF-bend, ν̃0=918.3715cm−1 (CD79Br35ClF), ν̃0=918.0206cm−1 (CD81Br35ClF)) regions. A detailed rovibrational analysis of these bands is presented. A combined analysis of the ν3,ν4 and ν5 fundamental bands provides accurate rotational and quartic centrifugal distortion constants for the vibrational ground state and for the states ν3,ν4 and ν5 of CD79Br35ClF and CD81Br35ClF. 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.