Characterization of the trifluoroacetic anhydride monomer by microwave spectroscopy
Love, Nathan
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https://hdl.handle.net/2142/104374
Description
Title
Characterization of the trifluoroacetic anhydride monomer by microwave spectroscopy
Author(s)
Love, Nathan
Contributor(s)
Leopold, Kenneth R.
Huff, Anna
Smith, C.J.
Issue Date
2019-06-20
Keyword(s)
Rotational structure/frequencies
Abstract
The rotational spectrum of trifluoroacetic anhydride (TFAA, CF$_{3}$COOCOCF$_{3}$) has been observed by chirped-pulse and cavity Fourier transform microwave spectroscopy. Collection and processing of chirped-pulse spectra were expedited through the use of a recently developed automation program, which will be briefly described. Over 250 transitions were recorded between 6 and 18 GHz ranging from J” = 2 to 24. Spectra were readily fit to a Watson A-reduced Hamiltonian with no evidence of internal rotation of the CF$_{3}$ groups. The experimental rotational constants and the observation of exclusively \textit{b}-type spectra are consistent with a staggered TFAA configuration predicted to be the global minimum by calculations at the M06-2X/6-311++G(3df,3pd) level of theory.
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