Abstract
A broadband chirped-pulse Fourier transform microwave spectrometer was used to detect the rotational spectra of the products of a chemical reaction in the gas phase from 1-18 GHz under the supersonic expansion condition. In natural abundance, pure rotational energy level transitions of tert-butyl chloride and its isotopologues (13C, 37Cl) were observed and assigned. The rotational spectral parameters (rotational constant, quadrupole coupling constant and centrifugal distortion constant) of these isotopologues were determined. The experimental results are in great agreement with the calculated values of quantum chemistry and the spectral parameters in the literature. The accuracy and the capability for chemical detection of our homemade rotational spectrometer were verified by this experiment.
Highlights
In the field of molecular rotational spectroscopy, high-resolution laboratory experiments are mostly combined with quantum chemical calculations to facilitate spectroscopic assignments for researchers engaged in chemical detection [1,2,3,4,5]
Two types of Fourier transform spectrometers are mainly used in the microwave band, one is the narrowband microwave spectrometer based on the Fabry−Perot cavity, while the other is the broadband microwave spectrometer based on chirped-pulse linear frequency modulation
Theoretical Calculation spherical aluminum mirror was designed to compensate for the lack of excitation microwave power; Tert-butyl chloride and its isotopologues are the main products of a chemical reaction between
Summary
In the field of molecular rotational spectroscopy, high-resolution laboratory experiments are mostly combined with quantum chemical calculations to facilitate spectroscopic assignments for researchers engaged in chemical detection [1,2,3,4,5]. The majority of molecules have a unique set of rotational spectra in the microwave to terahertz band, i.e., the so-called molecular fingerprints. On the basis of quantum chemical calculation, molecular rotational spectroscopy can fit extremely accurate three-dimensional structures of free molecules and describe the local electric field gradient distribution caused by electron arrangement [6,7]. The Fourier transform detection technology is used to quickly capture the hyperfine rotational spectra of gaseous substances. The narrowband microwave spectrometer was designed and built by Professor Flygare of the University of Illinois in the early
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