Microwave measurements of cyclopropanecarboxylic acid and its doubly hydrogen bonded dimer with formic acid
Pejlovas, Aaron M.
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https://hdl.handle.net/2142/91051
Description
Title
Microwave measurements of cyclopropanecarboxylic acid and its doubly hydrogen bonded dimer with formic acid
Author(s)
Pejlovas, Aaron M.
Contributor(s)
Kukolich, Stephen G.
Lin, Wei
Issue Date
2016-06-21
Keyword(s)
Spectroscopy of Large Amplitude Motions
Abstract
The microwave spectra were measured for cyclopropanecarboxylic acid (CPCA), an excited state conformer of CPCA and a doubly hydrogen bonded dimer formed with formic acid (FA) using a pulsed-beam Fourier transform microwave spectrometer. The rotational constants were determined from the spectra and were used to obtain a best fit gas phase structure of both CPCA and CPCA-FA using a nonlinear least squares fitting program. We obtained the C-C bond lengths in the cyclopropane ring for CPCA and the hydrogen bond distances for the CPCA-FA dimer. For CPCA-FA, there was no evidence of a concerted double proton tunneling motion as singlet b-type transitions were observed. The absence of the tunneling motion is most likely due to the asymmetry of the dimer. The excited stated conformer of the CPCA-FA dimer was also searched for, but was also not observed.
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