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Title:CHARACTERIZATION OF THE TRIFLUOROACETIC ANHYDRIDE MONOMER BY MICROWAVE SPECTROSCOPY
Author(s):Love, Nathan
Contributor(s):Leopold, Kenneth R.; Huff, Anna ; Smith, CJ
Subject(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.
Issue Date:2019-06-20
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104374
DOI:10.15278/isms.2019.RI09
Rights Information:Copyright 2019 Nathan Love
Date Available in IDEALS:2019-07-15
2020-01-25


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